mirror of https://gitlab.com/QEF/q-e.git
45 lines
1.2 KiB
Fortran
45 lines
1.2 KiB
Fortran
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!
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! Copyright (C) 2002 FPMD 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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! AB INITIO COSTANT PRESSURE MOLECULAR DYNAMICS
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! ----------------------------------------------
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! Car-Parrinello Parallel Program
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! Carlo Cavazzoni - Gerardo Ballabio
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! SISSA, Trieste, Italy - 1997-99
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! Last modified: Thu Oct 7 14:55:48 MDT; 1999
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! ----------------------------------------------
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FUNCTION miller2gsqr(i,j,k,b1,b2,b3)
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! calculate squared modulus of G
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! ----------------------------------------------
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USE kinds
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IMPLICIT NONE
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REAL(dbl) miller2gsqr
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! declare subroutine arguments
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INTEGER i,j,k
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REAL(dbl) b1(3), b2(3), b3(3)
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! declare other variables
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REAL(dbl) gsq
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! end of declarations
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! ----------------------------------------------
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gsq = ( REAL(i)*b1(1) + REAL(j)*b2(1) + REAL(k)*b3(1) ) ** 2
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gsq = gsq + ( REAL(i)*b1(2) + REAL(j)*b2(2) + REAL(k)*b3(2) ) ** 2
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gsq = gsq + ( REAL(i)*b1(3) + REAL(j)*b2(3) + REAL(k)*b3(3) ) ** 2
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miller2gsqr = gsq
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RETURN
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END
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