ABACUS
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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_io
write_pao.h
Go to the documentation of this file.
1
#include "
source_cell/unitcell.h
"
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namespace
ModuleIO
3
{
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void
print_PAOs
(
const
UnitCell
& ucell);
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}
UnitCell
Definition
unitcell.h:16
ModuleIO
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition
cal_dos.h:9
ModuleIO::print_PAOs
void print_PAOs(const UnitCell &ucell)
print chi (PAO) in pseudopotential file
Definition
write_pao.cpp:8
unitcell.h
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