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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
nscf_band.h File Reference
#include "source_base/matrix.h"
#include "source_cell/klist.h"
#include "source_cell/parallel_kpoints.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::nscf_band (const int &is, const std::string &eig_file, const int &nband, const double &fermie, const int &precision, const ModuleBase::matrix &ekb, const K_Vectors &kv)
 calculate the band structure