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!
! Copyright (C) 2001-2020 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 :: &
npk = 40000, &! max number of k-points
ntypx = 10, &! max number of different types of atom
nsx = ntypx, &! max number of atomic species (CP)
natx = 50, &! max number of atoms for DFT+U+V calculations
sc_size = 1 ! Defines the supercell in DFT+U+V as composed by the unit cells located
! by (n1,n2,n3) in primitive vectors base with -sc_size <= ni <= sc_size,
! (2*sc_size+1)**3 is the number of cells
END MODULE parameters
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