diff --git a/source/module_hamilt_general/module_xc/xc_functional_libxc.h b/source/module_hamilt_general/module_xc/xc_functional_libxc.h
index f206261076..12cf1fdd8e 100644
--- a/source/module_hamilt_general/module_xc/xc_functional_libxc.h
+++ b/source/module_hamilt_general/module_xc/xc_functional_libxc.h
@@ -7,6 +7,7 @@
 #include "module_base/vector3.h"
 
 #include <xc.h>
+#include <xc_funcs.h>
 
 #include <tuple>
 #include <vector>
diff --git a/source/module_hamilt_general/module_xc/xc_functional_wrapper_xc.cpp b/source/module_hamilt_general/module_xc/xc_functional_wrapper_xc.cpp
index aa6927ea9a..972c324990 100644
--- a/source/module_hamilt_general/module_xc/xc_functional_wrapper_xc.cpp
+++ b/source/module_hamilt_general/module_xc/xc_functional_wrapper_xc.cpp
@@ -5,6 +5,10 @@
 // 2. xc_spin, which is the spin polarized counterpart of xc
 // 3. xc_spin_libxc, which is the wrapper for LDA functional, spin polarized
 
+#ifdef USE_LIBXC
+#include <xc_funcs.h>
+#endif	// ifdef USE_LIBXC
+
 #include "xc_functional.h"
 #include <stdexcept>