diff --git a/ABACUS.develop/examples/H2O-deepks-lcao/jle.orb b/ABACUS.develop/examples/H2O-deepks-lcao/jle.orb
index d9fd439ce4..5b1d13011c 100644
--- a/ABACUS.develop/examples/H2O-deepks-lcao/jle.orb
+++ b/ABACUS.develop/examples/H2O-deepks-lcao/jle.orb
@@ -2,16 +2,16 @@
 Energy Cutoff(Ry)           50
 Radius Cutoff(a.u.)         6
 Lmax                        2
-Number of Sorbitals-->      13
-Number of Porbitals-->      13
-Number of Dorbitals-->      13
+Number of Sorbitals-->      3
+Number of Porbitals-->      2
+Number of Dorbitals-->      1
 ---------------------------------------------------------------------------
 SUMMARY END
 
 Mesh                        605
 dr                          0.01
-                   L                   N
-                   0                   0
+                Type                   L                   N
+                   0                   0                   0
 1.000000000000e+00 9.999954307450e-01 9.999817230550e-01 9.999588771557e-01 
 9.999268934227e-01 9.998857723822e-01 9.998355147105e-01 9.997761212345e-01 
 9.997075929310e-01 9.996299309272e-01 9.995431365007e-01 9.994472110789e-01 
@@ -164,8 +164,8 @@ dr                          0.01
 6.710918747811e-03 5.024918980690e-03 3.344420478453e-03 1.669441453672e-03 
 7.672312953838e-15 -1.663885908054e-03 -3.322198415458e-03 -4.974919786836e-03 
 -6.622032406765e-03 
-                   L                   N
-                   0                   1
+                Type                   L                   N
+                   0                   0                   1
 1.000000000000e+00 9.999817230550e-01 9.999268934227e-01 9.998355147105e-01 
 9.997075929310e-01 9.995431365007e-01 9.993421562398e-01 9.991046653715e-01 
 9.988306795205e-01 9.985202167122e-01 9.981732973708e-01 9.977899443184e-01 
@@ -318,8 +318,8 @@ dr                          0.01
 -6.709446932398e-03 -5.024299068872e-03 -3.344237101723e-03 -1.669418569349e-03 
 2.512273976170e-14 1.663863099950e-03 3.322016257243e-03 4.974306043361e-03 
 6.620580085661e-03 
-                   L                   N
-                   0                   2
+                Type                   L                   N
+                   0                   0                   2
 1.000000000000e+00 9.999588771557e-01 9.998355147105e-01 9.996299309272e-01 
 9.993421562398e-01 9.989722332485e-01 9.985202167122e-01 9.979861735385e-01 
 9.973701827725e-01 9.966723355824e-01 9.958927352436e-01 9.950314971204e-01 
@@ -472,8 +472,8 @@ dr                          0.01
 6.706994337188e-03 5.023265984567e-03 3.343931487334e-03 1.669380429316e-03 
 7.389596982152e-15 -1.663825086774e-03 -3.321712673450e-03 -4.973283238437e-03 
 -6.618159975091e-03 
-                   L                   N
-                   0                   3
+                Type                   L                   N
+                   0                   0                   3
 1.000000000000e+00 9.999268934227e-01 9.997075929310e-01 9.993421562398e-01 
 9.988306795205e-01 9.981732973708e-01 9.973701827725e-01 9.964215470375e-01 
 9.953276397415e-01 9.940887486459e-01 9.927051996072e-01 9.911773564758e-01 
@@ -626,8 +626,8 @@ dr                          0.01
 -6.703561607512e-03 -5.021819880594e-03 -3.343503655279e-03 -1.669327034086e-03 
 8.583855418087e-15 1.663771869264e-03 3.321287684165e-03 4.971851523590e-03 
 6.614772712065e-03 
-                   L                   N
-                   0                   4
+                Type                   L                   N
+                   0                   0                   4
 1.000000000000e+00 9.998857723822e-01 9.995431365007e-01 9.989722332485e-01 
 9.981732973708e-01 9.971466573496e-01 9.958927352436e-01 9.944120464808e-01 
 9.927051996072e-01 9.907728959881e-01 9.886159294654e-01 9.862351859690e-01 
@@ -780,8 +780,8 @@ dr                          0.01
 6.699149646791e-03 5.019960971106e-03 3.342953633789e-03 1.669258384619e-03 
 7.615769759501e-15 -1.663703448216e-03 -3.320741317270e-03 -4.970011110682e-03 
 -6.610419187879e-03 
-                   L                   N
-                   0                   5
+                Type                   L                   N
+                   0                   0                   5
 1.000000000000e+00 9.998355147105e-01 9.993421562398e-01 9.985202167122e-01 
 9.973701827725e-01 9.958927352436e-01 9.940887486459e-01 9.919592905814e-01 
 9.895056209813e-01 9.867291912182e-01 9.836316430835e-01 9.802148076310e-01 
@@ -934,8 +934,8 @@ dr                          0.01
 -6.693759615919e-03 -5.017689531214e-03 -3.342281458993e-03 -1.669174481984e-03 
 3.353609941903e-15 1.663619824813e-03 3.320073608774e-03 4.967762272203e-03 
 6.605100548166e-03 
-                   L                   N
-                   0                   6
+                Type                   L                   N
+                   0                   0                   6
 1.000000000000e+00 9.997761212345e-01 9.991046653715e-01 9.979861735385e-01 
 9.964215470375e-01 9.944120464808e-01 9.919592905814e-01 9.890652546003e-01 
 9.857322684524e-01 9.819630144724e-01 9.777605248430e-01 9.731281786890e-01 
@@ -1088,8 +1088,8 @@ dr                          0.01
 6.687392933145e-03 5.015005897186e-03 3.341487175163e-03 1.669075327611e-03 
 7.470372974062e-15 -1.663521000383e-03 -3.319284602556e-03 -4.965105340980e-03 
 -6.598818192294e-03 
-                   L                   N
-                   0                   7
+                Type                   L                   N
+                   0                   0                   7
 1.000000000000e+00 9.997075929310e-01 9.988306795205e-01 9.973701827725e-01 
 9.953276397415e-01 9.927051996072e-01 9.895056209813e-01 9.857322684524e-01 
 9.813891083719e-01 9.764807038877e-01 9.710122092318e-01 9.649893632704e-01 
@@ -1242,8 +1242,8 @@ dr                          0.01
 -6.680051273433e-03 -5.011910466193e-03 -3.340570834516e-03 -1.668960923089e-03 
 8.091661967317e-16 1.663406976591e-03 3.318374350567e-03 4.962040710312e-03 
 6.591573773124e-03 
-                   L                   N
-                   0                   8
+                Type                   L                   N
+                   0                   0                   8
 1.000000000000e+00 9.996299309272e-01 9.985202167122e-01 9.966723355824e-01 
 9.940887486459e-01 9.907728959881e-01 9.867291912182e-01 9.819630144724e-01 
 9.764807038877e-01 9.702895455599e-01 9.633977620041e-01 9.558144991363e-01 
@@ -1396,8 +1396,8 @@ dr                          0.01
 6.671736568086e-03 5.008403696387e-03 3.339532497358e-03 1.668831270322e-03 
 -6.871853145102e-15 -1.663277755294e-03 -3.317342912672e-03 -4.958568833750e-03 
 -6.583369196337e-03 
-                   L                   N
-                   0                   9
+                Type                   L                   N
+                   0                   0                   9
 1.000000000000e+00 9.995431365007e-01 9.981732973708e-01 9.958927352436e-01 
 9.927051996072e-01 9.886159294654e-01 9.836316430835e-01 9.777605248430e-01 
 9.710122092318e-01 9.633977620041e-01 9.549296585514e-01 9.456217595285e-01 
@@ -1550,8 +1550,8 @@ dr                          0.01
 -6.662451004076e-03 -5.004486106753e-03 -3.338372232010e-03 -1.668686371455e-03 
 -9.436728277193e-16 1.663133338602e-03 3.316190356713e-03 4.954690225091e-03 
 6.574206619914e-03 
-                   L                   N
-                   0                  10
+                Type                   L                   N
+                   0                   0                  10
 1.000000000000e+00 9.994472110789e-01 9.977899443184e-01 9.950314971204e-01 
 9.911773564758e-01 9.862351859690e-01 9.802148076310e-01 9.731281786890e-01 
 9.649893632704e-01 9.558144991363e-01 9.456217595285e-01 9.344313102292e-01 
@@ -1704,8 +1704,8 @@ dr                          0.01
 6.652197023323e-03 5.000158276982e-03 3.337090114773e-03 1.668526228842e-03 
 -4.381668020759e-15 -1.662973728921e-03 -3.314916758537e-03 -4.950405458315e-03 
 -6.564088453486e-03 
-                   L                   N
-                   0                  11
+                Type                   L                   N
+                   0                   0                  11
 1.000000000000e+00 9.993421562398e-01 9.973701827725e-01 9.940887486459e-01 
 9.895056209813e-01 9.836316430835e-01 9.764807038877e-01 9.680696988392e-01 
 9.584184823246e-01 9.475498117999e-01 9.354892837886e-01 9.222652619442e-01 
@@ -1858,8 +1858,8 @@ dr                          0.01
 -6.640977322024e-03 -4.995420847469e-03 -3.335686230010e-03 -1.668350845144e-03 
 -1.923754862896e-15 1.662798928850e-03 3.313522201900e-03 4.945715167390e-03 
 6.553017357490e-03 
-                   L                   N
-                   0                  12
+                Type                   L                   N
+                   0                   0                  12
 1.000000000000e+00 9.992279737113e-01 9.969140403446e-01 9.930646292992e-01 
 9.876904326070e-01 9.808063695699e-01 9.724315374314e-01 9.625891482603e-01 
 9.513064522713e-01 9.386146478614e-01 9.245487786840e-01 9.091476181311e-01 
@@ -2012,8 +2012,8 @@ dr                          0.01
 6.628794849553e-03 4.990274518931e-03 3.334160669886e-03 1.668160223061e-03 
 -1.634143446808e-13 -1.662608941446e-03 -3.312006778715e-03 -4.940620046424e-03 
 -6.540996242587e-03 
-                   L                   N
-                   1                   0
+                Type                   L                   N
+                   0                   1                   0
 0.000000000000e+00 2.496324586958e-03 4.992565169918e-03 7.488637748286e-03 
 9.984458328163e-03 1.247994292576e-02 1.497500757074e-02 1.746956830960e-02 
 1.996354120901e-02 2.245684235919e-02 2.494938787730e-02 2.744109391072e-02 
@@ -2166,8 +2166,8 @@ dr                          0.01
 6.550256466598e-03 4.904752248310e-03 3.264504247171e-03 1.629568314813e-03 
 -2.450759505326e-14 -1.624145453560e-03 -3.242813109028e-03 -4.855948338718e-03 
 -6.463496825996e-03 
-                   L                   N
-                   1                   1
+                Type                   L                   N
+                   0                   1                   1
 0.000000000000e+00 4.291735428457e-03 8.583043981323e-03 1.287349883355e-02 
 1.716267326116e-02 2.145014069182e-02 2.573547475530e-02 3.001824933398e-02 
 3.429803861326e-02 3.857441713205e-02 4.284695983304e-02 4.711524211308e-02 
@@ -2320,8 +2320,8 @@ dr                          0.01
 -6.653034817514e-03 -4.982349102382e-03 -3.316454317742e-03 -1.655591443512e-03 
 -9.285027025030e-15 1.650081982682e-03 3.294417995062e-03 4.932773078292e-03 
 6.564913853998e-03 
-                   L                   N
-                   1                   2
+                Type                   L                   N
+                   0                   1                   2
 0.000000000000e+00 6.057645291763e-03 1.211409019262e-02 1.816813459484e-02 
 2.421857895701e-02 3.026422458692e-02 3.630387392438e-02 4.233633082363e-02 
 4.836040083545e-02 5.437489148881e-02 6.037861257200e-02 6.637037641321e-02 
@@ -2474,8 +2474,8 @@ dr                          0.01
 6.677578111852e-03 5.001689383741e-03 3.329784521373e-03 1.662382688506e-03 
 -1.014291382965e-14 -1.656850627876e-03 -3.307659625620e-03 -4.951920917442e-03 
 -6.589132066614e-03 
-                   L                   N
-                   1                   3
+                Type                   L                   N
+                   0                   1                   3
 0.000000000000e+00 7.814122690509e-03 1.562566868360e-02 2.343206229337e-02 
 3.123072985647e-02 3.901910074235e-02 4.679460836213e-02 5.455469117579e-02 
 6.229679369723e-02 7.001836749665e-02 7.771687220001e-02 8.538977648500e-02 
@@ -2628,8 +2628,8 @@ dr                          0.01
 -6.684805733115e-03 -5.008385391616e-03 -3.334851962633e-03 -1.665095207049e-03 
 5.494622864293e-15 1.659554119718e-03 3.312693396035e-03 4.958550297758e-03 
 6.596263956071e-03 
-                   L                   N
-                   1                   4
+                Type                   L                   N
+                   0                   1                   4
 0.000000000000e+00 9.566298184911e-03 1.912786846262e-02 2.867998570765e-02 
 3.821793035619e-02 4.773699118245e-02 5.723246806975e-02 6.669967477440e-02 
 7.613394168073e-02 8.553061854550e-02 9.488507722985e-02 1.041927144171e-01 
@@ -2782,8 +2782,8 @@ dr                          0.01
 6.685513625474e-03 5.010519938161e-03 3.337036015286e-03 1.666414172876e-03 
 1.228805779297e-14 -1.660868696267e-03 -3.314862936615e-03 -4.960663604753e-03 
 -6.596962471817e-03 
-                   L                   N
-                   1                   5
+                Type                   L                   N
+                   0                   1                   5
 0.000000000000e+00 1.131608597450e-02 2.262434588731e-02 3.391696012004e-02 
 4.518612193520e-02 5.642404390216e-02 6.762296430584e-02 7.877515353239e-02 
 8.987292042600e-02 1.009086186114e-01 1.118746527759e-01 1.227634849063e-01 
@@ -2936,8 +2936,8 @@ dr                          0.01
 -6.682850476172e-03 -5.010449907207e-03 -3.337905136822e-03 -1.667122484388e-03 
 4.806874228875e-15 1.661574650702e-03 3.315726283262e-03 4.960594270583e-03 
 6.594334596110e-03 
-                   L                   N
-                   1                   6
+                Type                   L                   N
+                   0                   1                   6
 0.000000000000e+00 1.306435487340e-02 2.611666663547e-02 3.914490539118e-02 
 5.213706766219e-02 6.508118955583e-02 7.796535988669e-02 9.077773323521e-02 
 1.035065429278e-01 1.161401139228e-01 1.286668755872e-01 1.410753743480e-01 
@@ -3090,8 +3090,8 @@ dr                          0.01
 6.678009463363e-03 5.009067886003e-03 3.338053191631e-03 1.667516554664e-03 
 3.951549015960e-15 -1.661967409577e-03 -3.315873354289e-03 -4.959226000835e-03 
 -6.589557703069e-03 
-                   L                   N
-                   1                   7
+                Type                   L                   N
+                   0                   1                   7
 0.000000000000e+00 1.481154861308e-02 2.960554632853e-02 4.436446700681e-02 
 5.907083398651e-02 7.370724472844e-02 8.825639534585e-02 1.027011049831e-01 
 1.170243400055e-01 1.312092379632e-01 1.452391312917e-01 1.590975707145e-01 
@@ -3244,8 +3244,8 @@ dr                          0.01
 -6.671524854327e-03 -5.006772978614e-03 -3.337745574486e-03 -1.667728832823e-03 
 -5.395336532682e-15 1.662178981316e-03 3.315567781108e-03 4.956953928423e-03 
 6.583158983546e-03 
-                   L                   N
-                   1                   8
+                Type                   L                   N
+                   0                   1                   8
 0.000000000000e+00 1.655791103063e-02 3.309130092512e-02 4.957569177820e-02 
 6.598669206340e-02 8.230003961507e-02 9.849164436217e-02 1.145376307318e-01 
 1.304143796409e-01 1.460985699965e-01 1.615672196230e-01 1.767977255416e-01 
@@ -3398,8 +3398,8 @@ dr                          0.01
 6.663665829604e-03 5.003765677650e-03 3.337115462101e-03 1.667825765779e-03 
 3.234821327062e-15 -1.662275591703e-03 -3.314941855525e-03 -4.953976550982e-03 
 -6.575404052716e-03 
-                   L                   N
-                   1                   9
+                Type                   L                   N
+                   0                   1                   9
 0.000000000000e+00 1.830358174210e-02 3.657403808489e-02 5.477831499715e-02 
 7.288350101641e-02 9.085689811520e-02 1.086660920666e-01 1.262790221443e-01 
 1.436640499936e-01 1.607900275125e-01 1.776263635835e-01 1.941430895004e-01 
@@ -3552,8 +3552,8 @@ dr                          0.01
 -6.654580730483e-03 -5.000155868316e-03 -3.336235695113e-03 -1.667843679102e-03 
 -1.539764785014e-15 1.662293445418e-03 3.314067934178e-03 4.950402660314e-03 
 6.566439287048e-03 
-                   L                   N
-                   1                  10
+                Type                   L                   N
+                   0                   1                  10
 0.000000000000e+00 2.004864164329e-02 4.005374818685e-02 5.997189707219e-02 
 7.975989050636e-02 9.937486705384e-02 1.187744122816e-01 1.379166681467e-01 
 1.567604408180e-01 1.752653066309e-01 1.933917158755e-01 2.111010941297e-01 
@@ -3706,8 +3706,8 @@ dr                          0.01
 6.644357441323e-03 4.996008039433e-03 3.335148868278e-03 1.667803796964e-03 
 3.832418577154e-15 -1.662253695995e-03 -3.312988328793e-03 -4.946296103549e-03 
 -6.556351406844e-03 
-                   L                   N
-                   1                  11
+                Type                   L                   N
+                   0                   1                  11
 0.000000000000e+00 2.179313647908e-02 4.353035148499e-02 6.515589437070e-02 
 8.661435557316e-02 1.078508357368e-01 1.288111131402e-01 1.494418088701e-01 
 1.696905491932e-01 1.895061245890e-01 2.088386449143e-01 2.276396901883e-01 
@@ -3860,8 +3860,8 @@ dr                          0.01
 -6.633051346524e-03 -4.991362216394e-03 -3.333881262430e-03 -1.667719196465e-03 
 -1.252189741753e-15 1.662169377033e-03 3.311729145596e-03 4.941696507830e-03 
 6.545195062944e-03 
-                   L                   N
-                   1                  12
+                Type                   L                   N
+                   0                   1                  12
 0.000000000000e+00 2.353708990158e-02 4.700372424124e-02 7.032969852654e-02 
 9.344530942979e-02 1.162816029389e-01 1.387706196013e-01 1.608456359111e-01 
 1.824414009039e-01 2.034943670446e-01 2.239429145167e-01 2.437275680475e-01 
@@ -4014,28 +4014,28 @@ dr                          0.01
 6.620699340510e-03 4.986244451547e-03 3.332449826440e-03 1.667598292818e-03 
 5.962653679656e-14 -1.662048875611e-03 -3.310307220713e-03 -4.936629666149e-03 
 -6.533006660971e-03 
-                   L                   N
-                   2                   0
-0.000000000000e+00 6.151343072550e-06 2.460487800223e-05 5.535915301733e-05 
-9.841173135979e-05 1.537592085658e-04 2.213972081121e-04 3.013203801221e-04 
-3.935224033648e-04 4.979959858026e-04 6.147328643266e-04 7.437238061222e-04 
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-3.529764810930e-03 3.828802151043e-03 4.139839324045e-03 4.462851724483e-03 
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-6.256614712685e-03 6.650908827164e-03 7.056979507058e-03 7.474794623383e-03 
-7.904321117087e-03 8.345525001577e-03 8.798371365312e-03 9.262824374517e-03 
+                Type                   L                   N
+                   0                   2                   0
+0.000000000000e+00 6.151333446762e-06 2.460487800223e-05 5.535915194780e-05 
+9.841173105899e-05 1.537592083733e-04 2.213972082458e-04 3.013203802203e-04 
+3.935224034400e-04 4.979959858620e-04 6.147328643748e-04 7.437238061971e-04 
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 6.664612865637e-03 5.000131217437e-03 3.332626533897e-03 1.664964069491e-03 
--8.290763950186e-15 -1.659423408319e-03 -3.310482590678e-03 -4.950377429127e-03 
+-8.289501967746e-15 -1.659423408319e-03 -3.310482590678e-03 -4.950377429127e-03 
 -6.576335943163e-03 
-                   L                   N
-                   2                   7
-0.000000000000e+00 1.469077281085e-04 5.873534289921e-04 1.320505160705e-03 
-2.344978051437e-03 3.658836841987e-03 5.259599439583e-03 7.144241475153e-03 
-9.309201856310e-03 1.175038930510e-02 1.446318986865e-02 1.744247538855e-02 
-2.068261291309e-02 2.417747503490e-02 2.792045113452e-02 3.190445950907e-02 
+                Type                   L                   N
+                   0                   2                   7
+0.000000000000e+00 1.469077279070e-04 5.873534290424e-04 1.320505160728e-03 
+2.344978051437e-03 3.658836841985e-03 5.259599439572e-03 7.144241475153e-03 
+9.309201856313e-03 1.175038930510e-02 1.446318986865e-02 1.744247538855e-02 
+2.068261291309e-02 2.417747503490e-02 2.792045113452e-02 3.190445950906e-02 
 3.612196036317e-02 4.056496963804e-02 4.522507365283e-02 5.009344453085e-02 
-5.516085638201e-02 6.041770221118e-02 6.585401152093e-02 7.145946857587e-02 
+5.516085638202e-02 6.041770221118e-02 6.585401152093e-02 7.145946857587e-02 
 7.722343129452e-02 8.313495073344e-02 8.918279112741e-02 9.535545044823e-02 
 1.016411814439e-01 1.080280131193e-01 1.145037726172e-01 1.210561074614e-01 
 1.276725081175e-01 1.343403308319e-01 1.410468207053e-01 1.477791349581e-01 
@@ -5244,15 +5244,15 @@ dr                          0.01
 -1.931711843802e-02 -1.782907166866e-02 -1.630715605253e-02 -1.475479829273e-02 
 -1.317547980480e-02 -1.157272899787e-02 -9.950113479126e-03 -8.311232198628e-03 
 -6.659707551603e-03 -4.999177455396e-03 -3.333287418206e-03 -1.665682616765e-03 
-6.108646977042e-15 1.660139564409e-03 3.311139083646e-03 4.949433157140e-03 
+6.107527556058e-15 1.660139564409e-03 3.311139083646e-03 4.949433157140e-03 
 6.571495601099e-03 
-                   L                   N
-                   2                   8
-0.000000000000e+00 1.816222897676e-04 7.260650407621e-04 1.632056859352e-03 
-2.897481963991e-03 4.519384988048e-03 6.493977688712e-03 8.816647546195e-03 
-1.148196823317e-02 1.448371193045e-02 1.781486346025e-02 2.146763620464e-02 
+                Type                   L                   N
+                   0                   2                   8
+0.000000000000e+00 1.816222897676e-04 7.260650408436e-04 1.632056859352e-03 
+2.897481963989e-03 4.519384988051e-03 6.493977688712e-03 8.816647546198e-03 
+1.148196823318e-02 1.448371193045e-02 1.781486346025e-02 2.146763620464e-02 
 2.543348977210e-02 2.970314937161e-02 3.426662684946e-02 3.911324334017e-02 
-4.423165347922e-02 4.960987112178e-02 5.523529650800e-02 6.109474481226e-02 
+4.423165347923e-02 4.960987112178e-02 5.523529650800e-02 6.109474481226e-02 
 6.717447601048e-02 7.346022599663e-02 7.993723887676e-02 8.659030036608e-02 
 9.340377221213e-02 1.003616275650e-01 1.074474872126e-01 1.146446565987e-01 
 1.219361635373e-01 1.293047965375e-01 1.367331436507e-01 1.442036317510e-01 
@@ -5398,13 +5398,13 @@ dr                          0.01
 1.907824481156e-02 1.764539247469e-02 1.616971288658e-02 1.465532952316e-02 
 1.310645626504e-02 1.152738578322e-02 9.922477751471e-03 8.296146917260e-03 
 6.652851063798e-03 4.997078895596e-03 3.333337880273e-03 1.666142079259e-03 
-2.389365706608e-15 -1.660597497888e-03 -3.311189210362e-03 -4.947355478647e-03 
+2.389818419419e-15 -1.660597497888e-03 -3.311189210362e-03 -4.947355478647e-03 
 -6.564729929525e-03 
-                   L                   N
-                   2                   9
-0.000000000000e+00 2.199878633592e-04 8.793292279647e-04 1.976159129335e-03 
-3.507374991728e-03 5.468645159336e-03 7.854420806498e-03 1.065795119347e-02 
-1.387130222513e-02 1.748537826075e-02 2.148994711368e-02 2.587366817106e-02 
+                Type                   L                   N
+                   0                   2                   9
+0.000000000000e+00 2.199878632246e-04 8.793292279983e-04 1.976159129335e-03 
+3.507374991733e-03 5.468645159338e-03 7.854420806502e-03 1.065795119347e-02 
+1.387130222514e-02 1.748537826075e-02 2.148994711368e-02 2.587366817106e-02 
 3.062412355489e-02 3.572785223720e-02 4.117038701400e-02 4.693629423461e-02 
 5.300921617524e-02 5.937191593841e-02 6.600632475287e-02 7.289359154170e-02 
 8.001413462032e-02 8.734769538014e-02 9.487339380785e-02 1.025697856858e-01 
@@ -5554,11 +5554,11 @@ dr                          0.01
 -6.644389084369e-03 -4.994093117121e-03 -3.332949043045e-03 -1.666427839951e-03 
 6.012352329821e-15 1.660882307642e-03 3.310802956777e-03 4.944399409738e-03 
 6.556380031865e-03 
-                   L                   N
-                   2                  10
-0.000000000000e+00 2.620035804377e-04 1.047131718272e-03 2.352739493154e-03 
-4.174428330097e-03 6.506060404102e-03 9.339778739069e-03 1.266603293461e-02 
-1.647361043433e-02 2.074967323186e-02 2.547979989189e-02 3.064803274651e-02 
+                Type                   L                   N
+                   0                   2                  10
+0.000000000000e+00 2.620035804377e-04 1.047131718342e-03 2.352739493154e-03 
+4.174428330095e-03 6.506060404103e-03 9.339778739072e-03 1.266603293461e-02 
+1.647361043433e-02 2.074967323186e-02 2.547979989189e-02 3.064803274650e-02 
 3.623693010936e-02 4.222762333385e-02 4.859987852524e-02 5.533216270128e-02 
 6.240171418104e-02 6.978461696787e-02 7.745587887891e-02 8.538951316150e-02 
 9.355862332505e-02 1.019354909068e-01 1.104916658795e-01 1.191980594019e-01 
@@ -5579,9 +5579,9 @@ dr                          0.01
 1.319272619409e-01 1.208114746169e-01 1.096069358277e-01 9.834344788108e-02 
 8.705088684057e-02 7.575910781808e-02 6.449785066425e-02 5.329664636778e-02 
 4.218472447166e-02 3.119092180969e-02 2.034359286162e-02 9.670522018677e-03 
--8.011619562114e-04 -1.104506899723e-02 -2.103562806663e-02 -3.074816449107e-02 
+-8.011619562113e-04 -1.104506899723e-02 -2.103562806663e-02 -3.074816449107e-02 
 -4.015897405730e-02 -4.924539363317e-02 -5.798586809226e-02 -6.636001333369e-02 
--7.434867520261e-02 -8.193398413123e-02 -8.909940533569e-02 -9.582978441903e-02 
+-7.434867520261e-02 -8.193398413124e-02 -8.909940533569e-02 -9.582978441903e-02 
 -1.021113882473e-01 -1.079319409817e-01 -1.132806551669e-01 -1.181482577925e-01 
 -1.225270112614e-01 -1.264107292183e-01 -1.297947872062e-01 -1.326761281384e-01 
 -1.350532625913e-01 -1.369262639391e-01 -1.382967583708e-01 -1.391679098457e-01 
@@ -5608,7 +5608,7 @@ dr                          0.01
 2.734567451569e-03 -2.304276688186e-03 -7.283566559373e-03 -1.218544082641e-02 
 -1.699248319366e-02 -2.168778166772e-02 -2.625498556300e-02 -3.067836006198e-02 
 -3.494283815152e-02 -3.903406976697e-02 -4.293846798677e-02 -4.664325213182e-02 
--5.013648763584e-02 -5.340712256517e-02 -5.644502067940e-02 -5.924099093709e-02 
+-5.013648763584e-02 -5.340712256517e-02 -5.644502067939e-02 -5.924099093709e-02 
 -6.178681336438e-02 -6.407526121752e-02 -6.610011938443e-02 -6.785619898412e-02 
 -6.933934813651e-02 -7.054645888953e-02 -7.147547030398e-02 -7.212536771062e-02 
 -7.249617816758e-02 -7.258896215997e-02 -7.240580159638e-02 -7.194978417065e-02 
@@ -5706,12 +5706,12 @@ dr                          0.01
 1.852467135921e-02 1.721777600821e-02 1.584805897315e-02 1.442107430156e-02 
 1.294258047276e-02 1.141851732369e-02 9.854982346319e-03 8.258206450586e-03 
 6.634529288631e-03 4.990374237425e-03 3.332223137968e-03 1.666590889822e-03 
-1.678130316268e-15 -1.661044814901e-03 -3.310081874987e-03 -4.940717534258e-03 
+1.678812230281e-15 -1.661044814901e-03 -3.310081874987e-03 -4.940717534258e-03 
 -6.546650832582e-03 
-                   L                   N
-                   2                  11
-0.000000000000e+00 3.076684752969e-04 1.229456822894e-03 2.761718489534e-03 
-4.898391469913e-03 7.631021618919e-03 1.094879515999e-02 1.483858026336e-02 
+                Type                   L                   N
+                   0                   2                  11
+0.000000000000e+00 3.076684752969e-04 1.229456822918e-03 2.761718489533e-03 
+4.898391469915e-03 7.631021618927e-03 1.094879516000e-02 1.483858026336e-02 
 1.928497753096e-02 2.427037919052e-02 2.977503676719e-02 3.577713696791e-02 
 4.225288548166e-02 4.917659836780e-02 5.652080067530e-02 6.425633190728e-02 
 7.235245791876e-02 8.077698881069e-02 8.949640235977e-02 9.847597250258e-02 
@@ -5860,13 +5860,13 @@ dr                          0.01
 -1.821230683654e-02 -1.697562846985e-02 -1.566522921396e-02 -1.428736467144e-02 
 -1.284857833972e-02 -1.135567073013e-02 -9.815667414928e-03 -8.235786151830e-03 
 -6.623403238827e-03 -4.986019255467e-03 -3.331224348814e-03 -1.666663223992e-03 
--5.234270300177e-15 1.661116908350e-03 3.309089722328e-03 4.936405886016e-03 
+-5.234804717149e-15 1.661116908350e-03 3.309089722328e-03 4.936405886016e-03 
 6.535672151334e-03 
-                   L                   N
-                   2                  12
-0.000000000000e+00 3.569814882747e-04 1.426287458304e-03 3.203009736563e-03 
-5.678992372018e-03 8.842868026574e-03 1.268010869057e-02 1.717309049234e-02 
-2.230117230782e-02 2.804078781293e-02 3.436555056104e-02 4.124637160835e-02 
+                Type                   L                   N
+                   0                   2                  12
+0.000000000000e+00 3.569814883576e-04 1.426287458324e-03 3.203009736561e-03 
+5.678992372019e-03 8.842868026578e-03 1.268010869057e-02 1.717309049234e-02 
+2.230117230782e-02 2.804078781293e-02 3.436555056104e-02 4.124637160836e-02 
 4.865158915351e-02 5.654710960314e-02 6.489655942367e-02 7.366144709087e-02 
 8.280133440316e-02 9.227401638268e-02 1.020357089495e-01 1.120412435198e-01 
 1.222442676477e-01 1.325974508038e-01 1.430526943619e-01 1.535613448439e-01 
@@ -5960,7 +5960,7 @@ dr                          0.01
 -2.966594862004e-02 -2.792548605296e-02 -2.604640696311e-02 -2.403937251536e-02 
 -2.191566227883e-02 -1.968711175892e-02 -1.736604733100e-02 -1.496521892885e-02 
 -1.249773085105e-02 -9.976971056863e-03 -7.416539328725e-03 -4.830174683048e-03 
--2.231682412867e-03 3.651388539955e-04 2.946569699445e-03 5.499041684479e-03 
+-2.231682412867e-03 3.651388539954e-04 2.946569699445e-03 5.499041684479e-03 
 8.009207971345e-03 1.046401243426e-02 1.285075690406e-02 1.515716620353e-02 
 1.737145064347e-02 1.948236566420e-02 2.147926832383e-02 2.335217035218e-02 
 2.509178750901e-02 2.668958500519e-02 2.813781876764e-02 2.942957235138e-02 
diff --git a/ABACUS.develop/source/src_io/bessel_basis.cpp b/ABACUS.develop/source/src_io/bessel_basis.cpp
index 5c0c44df3b..07134ef02c 100644
--- a/ABACUS.develop/source/src_io/bessel_basis.cpp
+++ b/ABACUS.develop/source/src_io/bessel_basis.cpp
@@ -261,8 +261,8 @@ void Bessel_Basis::init_TableOne(
 
 			//caoyu add 2021-3-10
 			//=========output .orb format=============
-			ofs << setiosflags(ios::right) << setw(20) << "L" << setw(20) << "N" << endl;
-			ofs << setiosflags(ios::right) << setw(20) << l << setw(20) << ie << endl;
+			ofs << setiosflags(ios::right) << setw(20) << "Type"<< setw(20) << "L" << setw(20) << "N" << endl;
+			ofs << setiosflags(ios::right) << setw(20) << "0"<< setw(20) << l << setw(20) << ie << endl;
 			for (int ir = 0; ir < rmesh; ir++) 
 			{ 
 				ofs << setiosflags(ios::scientific) 
diff --git a/ABACUS.develop/source/src_lcao/ORB_read.cpp b/ABACUS.develop/source/src_lcao/ORB_read.cpp
index 156bd5e168..6a9b1eadaa 100644
--- a/ABACUS.develop/source/src_lcao/ORB_read.cpp
+++ b/ABACUS.develop/source/src_lcao/ORB_read.cpp
@@ -733,248 +733,42 @@ void LCAO_Orbitals::Read_PAO(
 {
 	TITLE("LCAO_Orbitals","Read_PAO");
 
-	int lmaxt = ucell.atoms[it].nwl;
-	// number of chi for each L.
-	int *nchi = new int[lmaxt+1];
-	for(int l=0; l<=lmaxt; l++)
+	ifstream in_ao;
+	bool open=false;
+	if(my_rank==0)
 	{
-		nchi[l] = ucell.atoms[it].l_nchi[l];
-		this->nchimax = std::max( this->nchimax, nchi[l]);
+		in_ao.open(this->orbital_file[it].c_str());
+		if(in_ao)
+		{
+			open=true;
+		}
 	}
-
-	// calculate total number of chi
-    int total_nchi = 0;
-    for(int l=0; l<=lmaxt; l++)
-    {
-        total_nchi += nchi[l];
-    }
-	//	OUT(ofs_running,"Total number of chi(l,n)",total_nchi);
-	
-	delete[] Phi[it].phiLN;
-	this->Phi[it].phiLN = new Numerical_Orbital_Lm[total_nchi];
-
-	ifstream in_ao;
-
-	int count=0;
-	ofs_running << " " << setw(8) << "ORBITAL" << setw(3) << "L" 
-	<< setw(3) << "N" << setw(8) << "nr" << setw(8) << "dr"
-	<< setw(8) << "RCUT" << setw(12) << "CHECK_UNIT"
-	<< setw(12) << "NEW_UNIT" << endl;
-    for (int L=0; L<=lmaxt; L++)
-    {
-        for (int N=0; N<nchi[L]; N++)
-        {
-			ofs_running << " " << setw(8) << count+1 << setw(3) << L << setw(3) << N;
-
-            bool open=false;
-            if(my_rank==0)
-            {
-                in_ao.open(this->orbital_file[it].c_str());
-                if(in_ao)
-                {
-                    open=true;
-                }
-            }
-#ifdef __MPI
-            Parallel_Common::bcast_bool( open );
-#endif
-            if(!open)
-            {
-                ofs_warning << " Orbital file : " << this->orbital_file[it] << endl;
-                WARNING_QUIT("LCAO_Orbitals::Read_PAO","Couldn't find orbital files");
-            }
-
-			double* radial; // radial mesh
-			double* psi; // radial local orbital
-			double* psir;// psi * r
-			double* rab;// dr
-            int meshr; // number of mesh points
-            char word[80];
-			double dr; // only used in case 1
-
-			int meshr_read;
-			if(my_rank==0)    //pengfei 2014-10-13
-			{
-				while (in_ao.good())
-				{
-					in_ao >> word;
-					if (std::strcmp(word , "END") == 0)		// Peize Lin fix bug about strcmp 2016-08-02
-					{
-						break;
-					}
-				}
-
-				CHECK_NAME(in_ao, "Mesh");
-				in_ao >> meshr;
-				meshr_read = meshr;
-				if(meshr%2==0) 
-				{
-					++meshr;
-				}
-			}
-				
-#ifdef __MPI
-			Parallel_Common::bcast_int( meshr );	
-			Parallel_Common::bcast_int( meshr_read );	
-#endif				
-			if(my_rank==0)
-			{
-				CHECK_NAME(in_ao, "dr");
-				in_ao >> dr;
-			}
-			
-#ifdef __MPI
-			Parallel_Common::bcast_double( dr );
-#endif
-			// set the number of mesh and the interval distance.
-			ofs_running << setw(8) << meshr << setw(8) << dr;
-
-            radial = new double[meshr];
-			psi = new double[meshr];
-            psir = new double[meshr];
-            rab = new double[meshr];
-
-			ZEROS( radial, meshr );
-			ZEROS( psi, meshr);
-			ZEROS( psir, meshr );
-			ZEROS( rab, meshr );
-
-			for(int ir=0; ir<meshr; ir++)
-			{
-				rab[ir] = dr;
-				// plus one because we can't read in r = 0 term now.
-				// change ir+1 to ir, because we need psi(r==0) information.
-				radial[ir] = ir*dr; //mohan 2010-04-19
-			}
-
-			// set the length of orbital
-			ofs_running << setw(8) << radial[meshr-1];
-
-			// mohan update 2010-09-07
-			bool find = false;
-			if(my_rank==0)
-			{
-				string name1;
-				string name2;
-				string name3;
-				int tmp_it=0;
-				int tmp_l=0;
-				int tmp_n=0;
-				while( !find )
-				{
-					if(in_ao.eof())
-					{
-						ofs_warning << " Can't find l=" 
-						<< L << " n=" << N << " orbital." << endl; 			
-						break;
-					}
-
-					
-					in_ao >> name1 >> name2 >> name3;
-					assert( name1 == "Type" );
-					in_ao >> tmp_it >> tmp_l >> tmp_n;
-					if( L == tmp_l && N == tmp_n )
-					{
-						// meshr_read is different from meshr if meshr is even number.
-						for(int ir=0; ir<meshr_read; ir++)
-						{
-							in_ao >> psi[ir];
-							/*
-							double rl = pow (ir*dr, l);	
-							psi[ir] *= rl;
-							*/
-							psir[ir] = psi[ir] * radial[ir];
-						}
-						find = true;
-					}
-					else
-					{
-						double no_use;
-						for(int ir=0; ir<meshr_read; ir++)
-						{
-							in_ao >> no_use;
-						}
-					}
-				}//end find
-			}
-
 #ifdef __MPI
-			Parallel_Common::bcast_bool(find);
-#endif
-			if(!find)
-			{
-				WARNING_QUIT("LCAO_Orbitals::Read_PAO","Can't find atomic orbitals.");
-			}
-
-#ifdef __MPI
-			Parallel_Common::bcast_double( psi, meshr_read ); // mohan add 2010-06-24
-			Parallel_Common::bcast_double( psir, meshr_read );
+	Parallel_Common::bcast_bool( open );
 #endif
+	if(!open)
+	{
+		ofs_warning << " Orbital file : " << this->orbital_file[it] << endl;
+		WARNING_QUIT("LCAO_Orbitals::Read_PAO","Couldn't find orbital files");
+	}
 
-			// renormalize radial wave functions
-			double* inner = new double[meshr]();
-			for(int ir=0; ir<meshr; ir++)
-			{
-				inner[ir] = psir[ir] * psir[ir];
-			}
-			double unit = 0.0;
-			Integral::Simpson_Integral(meshr, inner, rab, unit);
-
-			assert(unit>0.0); // mohan add 2021-04-26
-
-			// check unit: \sum ( psi[r] * r )^2 = 1
-			ofs_running << setprecision(3) << setw(12) << unit;
-
-			for(int ir=0; ir<meshr; ir++)
-			{
-				psi[ir] /= sqrt(unit);
-				psir[ir] /= sqrt(unit);
-			}
-
-			for(int ir=0; ir<meshr; ir++)
-			{
-				inner[ir] = psir[ir] * psir[ir];
-			}
-			Integral::Simpson_Integral(meshr, inner, rab, unit);
-			delete[] inner;
-			ofs_running << setw(12) << unit << endl;
-			
-			this->Phi[it].phiLN[count].set_orbital_info(
-                ucell.atoms[it].label,
-                it, //type
-                L, //angular momentum L
-                N, // number of orbitals of this L
-                meshr, // number of radial mesh
-                rab,
-                radial,// radial mesh value(a.u.)
-				Numerical_Orbital_Lm::Psi_Type::Psi,// psi type next
-                psi, // radial wave function
-                this->kmesh,
-                this->dk,
-				this->dr_uniform,
-				true,
-				true); // delta k mesh in reciprocal space
-
-            delete[] radial;
-            delete[] rab;
-            delete[] psir;
-			delete[] psi;
-
-            ++count;
-			in_ao.close();
-        }
-    }
-
-    this->Phi[it].set_orbital_info(
-        it, // type
-        ucell.atoms[it].label, // label
-        lmaxt,
-        nchi,
-        total_nchi); //copy twice !
+	ofs_running << " " << setw(12) << "ORBITAL" << setw(3) << "L" 
+	<< setw(3) << "N" << setw(8) << "nr" << setw(8) << "dr"
+	<< setw(8) << "RCUT" << setw(12) << "CHECK_UNIT"
+		<< setw(12) << "NEW_UNIT" << endl;
+	
+	//lmax and nchimax for type it
+	int lmaxt=0;
+	int nchimaxt=0;
 
-	delete[] nchi;
+	this->read_orb_file(in_ao, it, lmaxt, nchimaxt, this->Phi);
 
-    return;
+	//lmax and nchimax for all types
+	this->lmax = std::max(this->lmax, lmaxt);
+	this->nchimax = std::max(this->nchimax, nchimaxt);
+	
+	in_ao.close();
+	return;
 }
 
 
@@ -1008,46 +802,62 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 		WARNING_QUIT("LCAO_Orbitals::Read_Descriptor", "Couldn't find orbital files for descriptor");
 	}
 
-	//read lmax and nchi[l]
-	int lmax = 0;
+	this->lmax_d = 0;
 	this->nchimax_d = 0;
-	int nchi[10]={0};
+
+	this->read_orb_file(in_de, 0, this->lmax_d, this->nchimax_d, this->Alpha);
+
+	in_de.close();
+
+	return;
+}
+
+
+void LCAO_Orbitals::read_orb_file(ifstream &ifs,const int &it, int &lmax, int &nchimax, Numerical_Orbital* ao)
+{
+	TITLE("LCAO_Orbitals","read_orb_file");
 	char word[80];
 	if (MY_RANK == 0)
 	{
-		while (in_de.good())
+		while (ifs.good())
 		{
-			in_de >> word;
+			ifs >> word;
 			if (std::strcmp(word, "Lmax") == 0)
 			{
-				in_de >> lmax;
+				ifs >> lmax;
 				break;
 			}
 		}
-		// allocate space
-		// number of chi for each L.
+	}
+#ifdef __MPI
+	Parallel_Common::bcast_int(lmax);
+#endif	
+	
+	int* nchi = new int[lmax];		// allocate space: number of chi for each L.
+	
+	if (MY_RANK == 0)
+	{	
 		for (int l = 0; l <= lmax; l++)
 		{
-			in_de >> word >> word >> word >> nchi[l];
-			this->nchimax_d = std::max(this->nchimax_d, nchi[l]);
+			ifs >> word >> word >> word >> nchi[l];
+			nchimax = std::max(nchimax, nchi[l]);
 		}
 	}
 
 #ifdef __MPI
-	Parallel_Common::bcast_int(lmax);
-	Parallel_Common::bcast_int(this->nchimax_d);
+	Parallel_Common::bcast_int(nchimax);
 	Parallel_Common::bcast_int(nchi, lmax + 1);
 #endif		
 
-	this->lmax_d = lmax;
 	// calculate total number of chi
 	int total_nchi = 0;
 	for (int l = 0; l <= lmax; l++)
 	{
 		total_nchi += nchi[l];
 	}
-		//OUT(ofs_running,"Total number of chi(l,n)",total_nchi);
-	this->Alpha[0].phiLN = new Numerical_Orbital_Lm[total_nchi];
+	//OUT(ofs_running,"Total number of chi(l,n)",total_nchi);
+	delete[] ao[it].phiLN;
+	ao[it].phiLN = new Numerical_Orbital_Lm[total_nchi];
 
 	int meshr=0; // number of mesh points
 	int meshr_read=0;
@@ -1055,23 +865,23 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 
 	if (MY_RANK == 0)
 	{
-		while (in_de.good())
+		while (ifs.good())
 		{
-			in_de >> word;
+			ifs >> word;
 			if (std::strcmp(word, "END") == 0)		// Peize Lin fix bug about strcmp 2016-08-02
 			{
 				break;
 			}
 		}
-		CHECK_NAME(in_de, "Mesh");
-		in_de >> meshr;
+		CHECK_NAME(ifs, "Mesh");
+		ifs >> meshr;
 		meshr_read = meshr;
 		if (meshr % 2 == 0)
 		{
 			++meshr;
 		}
-		CHECK_NAME(in_de, "dr");
-		in_de >> dr;
+		CHECK_NAME(ifs, "dr");
+		ifs >> dr;
 	}
 
 #ifdef __MPI
@@ -1083,6 +893,8 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 	int count = 0;
 	string name1;
 	string name2;
+	string name3;
+	int tmp_it=0;
 	int tmp_l=0;
 	int tmp_n=0;
 
@@ -1130,21 +942,22 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 			{
 				while (!find)
 				{
-					if (in_de.eof())
+					if (ifs.eof())
 					{
 						ofs_warning << " Can't find l="
 							<< L << " n=" << N << " orbital." << endl;
 						break;
 					}
 
-					in_de >> name1 >> name2;
-					in_de >> tmp_l >> tmp_n;
+					ifs >> name1 >> name2>> name3;
+					ifs >> tmp_it >> tmp_l >> tmp_n;
+					assert( name1 == "Type" );
 					if (L == tmp_l && N == tmp_n)
 					{
 						// meshr_read is different from meshr if meshr is even number.
 						for (int ir = 0; ir < meshr_read; ir++)
 						{
-							in_de >> psi[ir];
+							ifs >> psi[ir];
 							psir[ir] = psi[ir] * radial[ir];
 						}
 						find = true;
@@ -1154,7 +967,7 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 						double no_use;
 						for (int ir = 0; ir < meshr_read; ir++)
 						{
-							in_de >> no_use;
+							ifs >> no_use;
 						}
 					}
 				}//end find
@@ -1165,7 +978,7 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 #endif
 			if (!find)
 			{
-				WARNING_QUIT("LCAO_Orbitals::Read_Descriptor", "Can't find descriptor orbitals.");
+				WARNING_QUIT("LCAO_Orbitals::read_orb_file", "Can't find orbitals.");
 			}
 
 #ifdef __MPI
@@ -1202,9 +1015,9 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 			delete[] inner;
 			ofs_running << setw(12) << unit << endl;
 
-			this->Alpha[0].phiLN[count].set_orbital_info(
-				"H", //any type
-				1, //any type
+			ao[it].phiLN[count].set_orbital_info(
+                ucell.atoms[it].label,
+                it, //type
 				L, //angular momentum L
 				N, // number of orbitals of this L
 				meshr, // number of radial mesh
@@ -1226,15 +1039,13 @@ void LCAO_Orbitals::Read_Descriptor(void)	//read descriptor basis
 			++count;
 		}
 	}
-
-	in_de.close();
-
-	this->Alpha[0].set_orbital_info(
-		1, // any type
-		"H", // any label
+	ao[it].set_orbital_info(
+        it, // type
+        ucell.atoms[it].label, // label	
 		lmax,
 		nchi,
 		total_nchi); //copy twice !
-
+	
+	delete[] nchi;
 	return;
-}
+}
\ No newline at end of file
diff --git a/ABACUS.develop/source/src_lcao/ORB_read.h b/ABACUS.develop/source/src_lcao/ORB_read.h
index 6ce928f65f..2a58aee82e 100644
--- a/ABACUS.develop/source/src_lcao/ORB_read.h
+++ b/ABACUS.develop/source/src_lcao/ORB_read.h
@@ -96,6 +96,9 @@ class LCAO_Orbitals
 
 	int lmax_d;	//caoyu add 2021-03-17
 	int nchimax_d;	//caoyu add 2021-03-17
+	void read_orb_file(ifstream &ifs, 
+		const int &it, int &lmax, 
+		int &nchimax, Numerical_Orbital* ao);	//caoyu add 2021-04-26
 
 };