mirror of https://gitlab.com/QEF/q-e.git
40 lines
1.0 KiB
Fortran
40 lines
1.0 KiB
Fortran
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!
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! Copyright (C) 2001-2018 Quantum ESPRESSO
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! This file is distributed under the terms
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! GNU General Public License. See the file
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! in the root directory of the present dis
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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!------------------------------------------------------------
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SUBROUTINE setup_offset_beta
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!----------------------------------------------------------
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!
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! Calculate the offset of beta functions for each atom na.
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! Ordering: first all betas for atoms of type 1,
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! then all betas for atoms of type 2, and so on.
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!
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USE uspp_param, ONLY : nh
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USE ions_base, ONLY : nat, ityp, ntyp => nsp
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USE control_lr, ONLY : ofsbeta
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!
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IMPLICIT NONE
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!
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INTEGER :: na, iat, nt, jkb2, ih
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!
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jkb2 = 0
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DO nt = 1, ntyp
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DO na = 1, nat
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IF ( ityp(na).EQ.nt ) THEN
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ofsbeta(na) = jkb2
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DO ih = 1, nh(nt)
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jkb2 = jkb2 + 1
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ENDDO
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ENDIF
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ENDDO
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ENDDO
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!
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RETURN
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!
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END SUBROUTINE setup_offset_beta
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