mirror of https://gitlab.com/QEF/q-e.git
31 lines
718 B
Fortran
31 lines
718 B
Fortran
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!
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! Copyright (C) 2001 PWSCF 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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integer function set_hubbard_l(psd) result (hubbard_l)
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!
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implicit none
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character(len=2) :: psd
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!
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! TRANSITION METALS
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!
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if (psd.eq.'V' .or. psd.eq.'Cr' .or. psd .eq.'Mn' .or. psd.eq.'Fe' .or. &
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psd.eq.'Co' .or. psd.eq.'Ni' .or. psd .eq.'Cu' ) then
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hubbard_l = 2
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!
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! RARE EARTHS
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!
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elseif (psd .eq.'Ce') then
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hubbard_l = 3
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!
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else
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hubbard_l = -1
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call error ('set_hubbard_l','pseudopotential not yet inserted', 1)
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endif
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return
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end function set_Hubbard_l
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