! ! Copyright (C) 2001-2003 PWSCF 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 ! ! First all the parameter declaration ! INTEGER, PARAMETER :: & ntypx = 10, &! max number of different types of atom npsx = ntypx, &! max number of different PPs (obsolete) npk = 40000, &! max number of k-points lmaxx = 3, &! max non local angular momentum nchix = 6, &! max number of atomic wavefunctions per atom ndmx = 2000 ! max number of points in the atomic radial mesh INTEGER, PARAMETER :: & nbrx = 14, &! max number of beta functions lqmax= 2*lmaxx+1, &! max number of angular momenta of Q nqfx = 8 ! max number of coefficients in Q smoothing ! ! ... More parameter for the CP codes ! INTEGER, PARAMETER :: cp_lmax = lmaxx + 1 ! maximum number of channels ! (s,p,d,f) INTEGER, PARAMETER :: nacx = 10 ! maximum number of averaged ! quantities saved to the restart INTEGER, PARAMETER :: nsx = ntypx ! maximum number of species INTEGER, PARAMETER :: natx = 5000 ! maximum number of atoms INTEGER, PARAMETER :: nbndxx = 10000 ! maximum number of electronic states INTEGER, PARAMETER :: npkx = npk ! maximum number of K points INTEGER, PARAMETER :: ncnsx = 101 ! maximum number of constraints INTEGER, PARAMETER :: nspinx = 2 ! maximum number of spinors END MODULE parameters