2003-02-10 16:58:33 +08:00
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!
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2004-12-09 15:20:57 +08:00
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! Copyright (C) 2001-2004 PWSCF group
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2003-02-10 16:58:33 +08:00
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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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2004-12-09 15:20:57 +08:00
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!---------------------------------------------------------------------------
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FUNCTION set_hubbard_l( psd ) RESULT( hubbard_l )
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!---------------------------------------------------------------------------
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!
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USE io_global, ONLY : stdout
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!
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IMPLICIT NONE
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!
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INTEGER :: hubbard_l
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CHARACTER(LEN=2), INTENT(IN) :: psd
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!
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!
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SELECT CASE( TRIM( psd ) )
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!
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! ... transition metals
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!
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CASE( 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu' )
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!
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hubbard_l = 2
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!
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!
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! ... rare earths
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!
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CASE( 'Ce' )
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!
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hubbard_l = 3
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!
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!
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! ... other elements
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!
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CASE( 'H' )
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!
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hubbard_l = 0
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!
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CASE( 'C', 'O' )
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!
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hubbard_l = 1
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!
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CASE DEFAULT
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!
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hubbard_l = -1
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!
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WRITE( stdout, '(/,"psd = ",A,/)' ) psd
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!
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CALL errore( 'set_hubbard_l', 'pseudopotential not yet inserted', 1 )
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!
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END SELECT
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!
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RETURN
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!
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END FUNCTION set_Hubbard_l
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