mirror of https://gitlab.com/QEF/q-e.git
66 lines
1.7 KiB
Fortran
66 lines
1.7 KiB
Fortran
!
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! Copyright (C) 2005 Eyvaz Isaev
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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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! Used for k-points generation for the Fermi Surface construction
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! Eyvaz Isaev, 2005
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! eyvaz_isaev@yahoo.com, e.isaev@misis.ru
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! Theoretical Physics Department
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! Moscow State Institute of Steel and Alloys
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!-----------------------------------------------------------------------
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PROGRAM kvecs_FS
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!-----------------------------------------------------------------------
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implicit real*8(a-h,o-z)
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dimension x(3),y(3),z(3), rijk(100,100,100,3)
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character*80 sysname
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!
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read(5,*) x(1),x(2),x(3)
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read(5,*) y(1),y(2),y(3)
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read(5,*) z(1),z(2),z(3)
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read(5,*) na,nb,nc
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read(5,*) sysname
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!
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fna=dble(na)
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fnb=dble(nb)
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fnc=dble(nc)
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jj=0
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DO I=0,na
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I1=i+1
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DO J=0,nb
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j1=j+1
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DO K=0,nc
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K1=k+1
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Rijk(I1,j1,k1,1)=I*X(1)/fna + J*Y(1)/fnb + K*Z(1)/fnc
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Rijk(I1,j1,k1,2)=I*X(2)/fna + J*Y(2)/fnb + K*Z(2)/fnc
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Rijk(I1,j1,k1,3)=I*X(3)/fna + J*Y(3)/fnb + K*Z(3)/fnc
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!
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jj=jj+1
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END DO
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END DO
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END DO
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!
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! 3 format('i1,j1,k1=',3i4,' Rijk=',3f9.3)
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!
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print *,'jj=',jj
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!
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wk=1.0
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open(9,file='kvecs_'//sysname)
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write(9,'(i6)') jj
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!
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DO I=1,na+1
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DO J=1,nb+1
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DO K=1,nc+1
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write(9,'(3f12.6,f6.2)') rijk(i,j,k,1),rijk(i,j,k,2),
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& rijk(i,j,k,3), wk
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END DO
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END DO
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END DO
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close (9)
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stop
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end
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