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Atomic-orbital Based Ab-initio Computation at UStc
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pot_xc_fdm.h
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1//=======================
2// AUTHOR : Peize Lin
3// DATE : 2025-10-01
4//=======================
5
6#ifndef POTXC_FDM_H
7#define POTXC_FDM_H
8
9#include "pot_base.h"
10
11namespace elecstate
12{
13
14class PotXC_FDM : public PotBase
15{
16public:
17
19 const ModulePW::PW_Basis* rho_basis_in,
20 const Charge*const chg_0_in,
21 const UnitCell*const ucell);
22
23 void cal_v_eff(
24 const Charge*const chg_1,
25 const UnitCell*const ucell,
26 ModuleBase::matrix& v_eff) override;
27
28 const Charge*const chg_0 = nullptr;
30};
31
32} // namespace elecstate
33
34#endif
Definition charge.h:17
Definition matrix.h:18
A class which can convert a function of "r" to the corresponding linear superposition of plane waves ...
Definition pw_basis.h:56
Definition unitcell.h:15
Definition pot_base.h:22
Definition pot_xc_fdm.h:15
void cal_v_eff(const Charge *const chg_1, const UnitCell *const ucell, ModuleBase::matrix &v_eff) override
Definition pot_xc_fdm.cpp:27
const Charge *const chg_0
Definition pot_xc_fdm.h:28
ModuleBase::matrix v_xc_0
Definition pot_xc_fdm.h:29
Definition read_atoms_helper_test.cpp:11