1! 2! Copyright (C) 2001-2020 Quantum ESPRESSO group 3! This file is distributed under the terms of the 4! GNU General Public License. See the file `License' 5! in the root directory of the present distribution, 6! or http://www.gnu.org/copyleft/gpl.txt . 7! 8! 9MODULE parameters 10 11 IMPLICIT NONE 12 SAVE 13 14 INTEGER, PARAMETER :: & 15 npk = 40000, &! max number of k-points 16 ntypx = 10, &! max number of different types of atom 17 nsx = ntypx, &! max number of atomic species (CP) 18 natx = 50, &! max number of atoms for DFT+U+V calculations 19 sc_size = 1 ! Defines the supercell in DFT+U+V as composed by the unit cells located 20 ! by (n1,n2,n3) in primitive vectors base with -sc_size <= ni <= sc_size, 21 ! (2*sc_size+1)**3 is the number of cells 22 23END MODULE parameters 24