quantum-espresso/Modules/parameters.f90

23 lines
746 B
Fortran

!
! Copyright (C) 2001-2009 Quantum ESPRESSO 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 parameters
IMPLICIT NONE
SAVE
INTEGER, PARAMETER :: &
ntypx = 10, &! max number of different types of atom
npsx = ntypx, &! max number of different PPs (obsolete)
nsx = ntypx, &! max number of atomic species (CP)
npk = 40000, &! max number of k-points
lmaxx = 3, &! max non local angular momentum (l=0 to lmaxx)
lqmax= 2*lmaxx+1 ! max number of angular momenta of Q
END MODULE parameters