quantum-espresso/Modules/electrons_base.f90

30 lines
1.2 KiB
Fortran

!
! Copyright (C) 2002 FPMD group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!------------------------------------------------------------------------------!
MODULE electrons_base
!------------------------------------------------------------------------------!
USE kinds, ONLY: dbl
!
IMPLICIT NONE
SAVE
INTEGER :: nbnd = 0 ! total number of electronic states
INTEGER :: nbndx = 0 ! array dimension nbndx >= nbnd
INTEGER :: nel(2) = 0 ! number of electrons (up, down)
INTEGER :: nelt = 0 ! total number of electrons ( up + down )
INTEGER :: nupdwn(2) = 0 ! number of states with spin up (1) and down (2)
INTEGER :: iupdwn(2) = 0 ! first state with spin (1) and down (2)
INTEGER :: nspin = 0 ! nspin = number of spins (1=no spin, 2=LSDA)
!
!------------------------------------------------------------------------------!
END MODULE electrons_base
!------------------------------------------------------------------------------!