11#include " xc_functional.h"
22#include " source_io/module_parameter/parameter.h"
33#include " source_base/global_function.h"
4+ #include " source_base/tool_title.h"
45
56#ifdef USE_LIBXC
67#include " xc_functional_libxc.h"
@@ -24,6 +25,7 @@ void XC_Functional::set_hybrid_alpha(const double alpha_in)
2425
2526void XC_Functional::set_xc_first_loop (const UnitCell& ucell)
2627{
28+ ModuleBase::TITLE (" XC_Functional" , " set_xc_first_loop" );
2729 /* * In the special "two-level" calculation case,
2830the first scf iteration only calculate the functional without exact
2931exchange. but in "nscf" calculation, there is no need of "two-level"
@@ -57,6 +59,7 @@ method. */
5759// for detail, refer to https://www.tddft.org/programs/libxc/functionals/
5860void XC_Functional::set_xc_type (const std::string xc_func_in)
5961{
62+ ModuleBase::TITLE (" XC_Functional" , " set_xc_type" );
6063 // Note : due to the separation of gcx_spin and gcc_spin,
6164 // when you are adding new GGA functionals,
6265 // please put exchange first, followed by correlation,
@@ -329,6 +332,7 @@ void XC_Functional::set_xc_type(const std::string xc_func_in)
329332
330333std::string XC_Functional::output_info ()
331334{
335+ ModuleBase::TITLE (" XC_Functional" , " output_info" );
332336 #ifdef USE_LIBXC
333337 if (use_libxc)
334338 {
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