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Test: Update the parameter and reference results of 23_OF_LPS #6774

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Merged
mohanchen merged 2 commits into from
Dec 12, 2025
Merged

Test: Update the parameter and reference results of 23_OF_LPS #6774

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Test: Update the parameter and reference results of 23_OF_LPS
sunliang98 Dec 11, 2025
9180fc5
Merge branch 'develop' into fix_of_test
sunliang98 Dec 11, 2025
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3 changes: 1 addition & 2 deletions tests/07_OFDFT/23_OF_LPS/INPUT
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Original file line number Diff line number Diff line change
Expand Up @@ -21,8 +21,7 @@ scf_nmax 50
of_kinetic wt
of_method tn
of_conv energy
of_tole 2e-6
of_tole 2e-10

#Parameters (3.Basis)
basis_type pw

8 changes: 4 additions & 4 deletions tests/07_OFDFT/23_OF_LPS/result.ref
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@@ -1,8 +1,8 @@
etotref -55.9081453813626368
etotperatomref -55.9081453814
etotref -55.9081453854520234
etotperatomref -55.9081453855
totalforceref 0.000000
totalstressref 282.735417
totalstressref 282.762102
pointgroupref O_h
spacegroupref O_h
nksibzref 1
totaltimeref 0.54
totaltimeref 0.96
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