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Atomic-orbital Based Ab-initio Computation at UStc
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source_io
nscf_fermi_surf.h
Go to the documentation of this file.
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#ifndef NSCF_FERMI_SURF_H
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#define NSCF_FERMI_SURF_H
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#include "
source_base/matrix.h
"
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#include "
source_cell/klist.h
"
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#include "
source_cell/unitcell.h
"
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#include "
source_cell/parallel_kpoints.h
"
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namespace
ModuleIO
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{
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void
nscf_fermi_surface
(
const
std::string& out_band_dir,
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const
int
& nband,
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const
double
& ef,
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const
K_Vectors
& kv,
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const
UnitCell
& ucell,
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const
ModuleBase::matrix
& ekb);
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}
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#endif
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K_Vectors
Definition
klist.h:13
ModuleBase::matrix
Definition
matrix.h:19
UnitCell
Definition
unitcell.h:16
matrix.h
ModuleIO
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition
cal_dos.h:9
ModuleIO::nscf_fermi_surface
void nscf_fermi_surface(const std::string &out_band_dir, const int &nband, const double &ef, const K_Vectors &kv, const UnitCell &ucell, const ModuleBase::matrix &ekb)
Definition
nscf_fermi_surf.cpp:11
parallel_kpoints.h
klist.h
unitcell.h
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