ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include "source_base/matrix.h"
#include "source_cell/klist.h"
#include "source_cell/parallel_kpoints.h"
Go to the source code of this file.
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 | |