vasp_interface Module


Uses


Contents


Variables

Type Visibility Attributes Name Initial
integer, public, allocatable :: KPntInd(:)
real(kind=dp), public, allocatable :: eigv(:)
real(kind=dp), public, allocatable :: kpnts(:,:)
real(kind=dp), public :: xi
integer, public :: nKP
integer, public :: nStates
integer, public :: KPMsh(3)

Subroutines

public subroutine NECIReceiveVASPData(vasp_nbands, vasp_nkpts, vasp_kpnts, vasp_kpmsh, vasp_xi, vasp_kpntind, vasp_eigv, vasp_umat2d, vasp_nEl)

Arguments

Type IntentOptional Attributes Name
integer :: vasp_nbands
integer :: vasp_nkpts
real(kind=dp) :: vasp_kpnts(3,vasp_nkpts)
integer :: vasp_kpmsh(3)
real(kind=dp) :: vasp_xi
integer :: vasp_kpntind(vasp_nbands*vasp_nkpts)
real(kind=dp) :: vasp_eigv(vasp_nbands*vasp_nkpts)
real(kind=dp) :: vasp_umat2d(vasp_nbands*vasp_nkpts,vasp_nbands*vasp_nkpts)
integer :: vasp_nEl