The Elk Code
writew90eig.f90
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1 
2 ! Copyright (C) 2015 Manh Duc Le, 2017-18 Arsenii Gerasimov, Yaroslav Kvashnin
3 ! and Lars Nordstrom. This file is distributed under the terms of the GNU
4 ! General Public License. See the file COPYING for license details.
5 
6 subroutine writew90eig
7 use modmain
8 use modw90
9 implicit none
10 ! local variables
11 integer ik,jk,ist,i
12 real(8) t1
13 character(256) fname
14 fname=trim(seedname)//'.eig'
15 open(50,file=trim(fname),action='WRITE',form='FORMATTED')
16 ! loop over non-reduced k-points
17 do ik=1,nkptnr
18 ! equivalent reduced k-point
19  jk=ivkik(ivk(1,ik),ivk(2,ik),ivk(3,ik))
20  do i=1,num_bands
21  ist=idxw90(i)
22  t1=evalsv(ist,jk)-efermi
23  write(50,'(2I6,G18.10)') i,ik,t1*ha_ev
24  end do
25 end do
26 close(50)
27 write(*,*)
28 write(*,'("Info(writew90eig): created file ",A)') trim(fname)
29 end subroutine
30 
integer num_bands
Definition: modw90.f90:20
real(8) efermi
Definition: modmain.f90:907
real(8), dimension(:,:), allocatable evalsv
Definition: modmain.f90:921
integer, dimension(:,:,:), allocatable ivkik
Definition: modmain.f90:467
integer nkptnr
Definition: modmain.f90:463
character(256) seedname
Definition: modw90.f90:12
Definition: modw90.f90:6
integer, dimension(:), allocatable idxw90
Definition: modw90.f90:22
subroutine writew90eig
Definition: writew90eig.f90:7
integer, dimension(:,:), allocatable ivk
Definition: modmain.f90:465
real(8), parameter ha_ev
Definition: modmain.f90:1257