ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <hpsi_norm_op.h>
Public Member Functions | |
void | operator() (const Device *dev, const int &nbands, const int &npwk_max, const int &npwk, const FPTYPE &Ebar, const FPTYPE &DeltaE, std::complex< FPTYPE > *hpsi_norm, const std::complex< FPTYPE > *psi_in) |
normalize hPsi with emin and emax | |
void hamilt::hpsi_norm_op< FPTYPE, Device >::operator() | ( | const Device * | dev, |
const int & | nbands, | ||
const int & | npwk_max, | ||
const int & | npwk, | ||
const FPTYPE & | Ebar, | ||
const FPTYPE & | DeltaE, | ||
std::complex< FPTYPE > * | hpsi_norm, | ||
const std::complex< FPTYPE > * | psi_in | ||
) |
normalize hPsi with emin and emax
Input Parameters
dev | : the type of computing device |
nbands | : nbands |
npwk_max | : max number of planewaves of all k points |
npwk | : number of planewaves of current k point |
Ebar | : (emin + emax) / 2 |
DeltaE | : (emax - emin) / 2 |
hpsi_norm | : hPsi |
psi_in | : input psi Output Parameters |
tmhpsi | : output array |