The Elk Code
 
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writeevaluv.f90
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1
2! Copyright (C) 2019 J. K. Dewhurst and S. Sharma.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine writeevaluv
7use modmain
8use modbog
9implicit none
10! local variables
11integer ik,ist
12real(8) e
13! write out the fermionic eigenvalues
14open(50,file='EIGVALUV.OUT',form='FORMATTED',action='WRITE')
15write(50,'(I6," : nkpt")') nkpt
16write(50,'(I6," : nstsv")') nstsv
17do ik=1,nkpt
18 write(50,*)
19 write(50,'(I6,3G18.10," : k-point, vkl")') ik,vkl(:,ik)
20 write(50,'(" (state, eigenvalue, V-norm below)")')
21 do ist=1,nstsv
22 e=evaluv(ist,ik)
23 if (vnorm(ist,ik) > 0.5d0) e=-e
24 write(50,'(I6,2G18.10)') ist,e,vnorm(ist,ik)
25 end do
26 write(50,*)
27end do
28close(50)
29end subroutine
30
real(8), dimension(:,:), allocatable evaluv
Definition modbog.f90:15
real(8), dimension(:,:), allocatable vnorm
Definition modbog.f90:17
integer nkpt
Definition modmain.f90:461
integer nstsv
Definition modmain.f90:886
real(8), dimension(:,:), allocatable vkl
Definition modmain.f90:471
subroutine writeevaluv