mirror of https://gitlab.com/QEF/q-e.git
24 lines
875 B
Fortran
24 lines
875 B
Fortran
!
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! Copyright (C) 2001-2020 Quantum ESPRESSO group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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MODULE parameters
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IMPLICIT NONE
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SAVE
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INTEGER, PARAMETER :: &
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npk = 40000, &! max number of k-points
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ntypx = 10, &! max number of different types of atom
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nsx = ntypx, &! max number of atomic species (CP)
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natx = 50, &! max number of atoms for DFT+U+V calculations
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sc_size = 1 ! Defines the supercell in DFT+U+V as composed by the unit cells located
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! by (n1,n2,n3) in primitive vectors base with -sc_size <= ni <= sc_size,
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! (2*sc_size+1)**3 is the number of cells
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END MODULE parameters
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