mirror of https://gitlab.com/QEF/q-e.git
65 lines
1.3 KiB
Fortran
65 lines
1.3 KiB
Fortran
!
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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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program prog
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implicit none
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real, allocatable :: e(:,:)
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real, allocatable :: k(:,:)
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real, dimension(3) ::k0,a
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integer nbnd, nbnd2, nks, i, n, j
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real ef, dk
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character(len=32):: input, output
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namelist/plot/ nbnd, nks
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write(6,*) 'Number of bands to be plotted:'
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read(5,*) nbnd2
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write(6,*) 'Fermi level (eV):'
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read(5,*) ef
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write(6,*) 'Name of the bands file (produced by band.x):'
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read(5,*) input
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write(6,*) 'Name of the output file:'
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read(5,*) output
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open(10,file=input, status='old')
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open(11,file=output, status='unknown')
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read(10,plot)
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if (nbnd2.gt.nbnd) nbnd2=nbnd
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allocate(e(nks,nbnd))
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allocate(k(nks,3))
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do i=1,nks
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read(10,*)(k(i,j),j=1,3)
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write(6,9020)(k(i,j),j=1,3)
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read(10,*) (e(i,n),n=1,nbnd)
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write(6,9030) (e(i,n),n=1,nbnd)
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9020 format (14x,3f7.4)
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9030 format (8f9.4)
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enddo
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do j=1,nbnd2
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dk=0.0
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do i=1,nks
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if (i.eq.1) then
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k0=k(i,:)
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endif
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a=k(i,:)-k0
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dk=dk+sqrt(dot_product(a,a))
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write(11,*)dk,e(i,j)-ef
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k0=k(i,:)
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enddo
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write(11,*)
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enddo
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stop
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end program prog
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