The Elk Code
writegsvars.f90
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1 
2 ! Copyright (C) 2024 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 
6 subroutine writegsvars
7 use modmain
8 use modvars
9 implicit none
10 call writevars('engytot',rv=engytot)
11 call writevars('engyx',rv=engyx)
12 call writevars('engyc',rv=engyc)
13 call writevars('efermi',rv=efermi)
14 call writevars('evalsum',rv=evalsum)
15 call writevars('engykn',rv=engykn)
16 call writevars('fermidos',rv=fermidos)
17 call writevars('bandgap',nv=2,rva=bandgap)
18 if (spinpol) then
19  call writevars('momtot',nv=ndmag,rva=momtot)
20  call writevars('momtotm',rv=momtotm)
21  call writevars('mommt',nv=3*natmtot,rva=mommt)
22 end if
23 if (tforce) then
24  call writevars('forcetot',nv=3*natmtot,rva=forcetot)
25 end if
26 end subroutine
27 
real(8) efermi
Definition: modmain.f90:907
real(8), dimension(:,:), allocatable mommt
Definition: modmain.f90:744
real(8), dimension(3) momtot
Definition: modmain.f90:738
real(8) engyx
Definition: modmain.f90:975
logical spinpol
Definition: modmain.f90:228
integer ndmag
Definition: modmain.f90:238
real(8) engykn
Definition: modmain.f90:953
real(8) momtotm
Definition: modmain.f90:740
real(8) fermidos
Definition: modmain.f90:913
real(8), dimension(:,:), allocatable forcetot
Definition: modmain.f90:993
logical tforce
Definition: modmain.f90:989
real(8) engytot
Definition: modmain.f90:983
real(8) evalsum
Definition: modmain.f90:951
real(8) engyc
Definition: modmain.f90:977
integer natmtot
Definition: modmain.f90:40
real(8), dimension(2) bandgap
Definition: modmain.f90:915
subroutine writegsvars
Definition: writegsvars.f90:7
subroutine writevars(vname, n1, n2, n3, n4, n5, n6, nv, iv, iva, rv, rva, zv, zva, sv, sva)
Definition: modvars.f90:16