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Atomic-orbital Based Ab-initio Computation at UStc
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write_pao.h File Reference
#include "source_cell/unitcell.h"
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Namespaces

namespace  ModuleIO
 This class has two functions: restart psi from the previous calculation, and write psi to the disk.
 

Functions

void ModuleIO::print_PAOs (const UnitCell &ucell)
 print chi (PAO) in pseudopotential file