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('evalsmv',rv=evalsmv)
15 call writevars('evalsmc',rv=evalsmc)
16 call writevars('engykn',rv=engykn)
17 call writevars('fermidos',rv=fermidos)
18 call writevars('bandgap',nv=2,rva=bandgap)
19 if (spinpol) then
20  call writevars('momtot',nv=ndmag,rva=momtot)
21  call writevars('momtotm',rv=momtotm)
22  call writevars('mommt',nv=3*natmtot,rva=mommt)
23 end if
24 if (tforce) then
25  call writevars('forcetot',nv=3*natmtot,rva=forcetot)
26 end if
27 end subroutine
28 
real(8) efermi
Definition: modmain.f90:903
real(8), dimension(:,:), allocatable mommt
Definition: modmain.f90:747
real(8), dimension(3) momtot
Definition: modmain.f90:741
real(8) evalsmc
Definition: modmain.f90:947
real(8) engyx
Definition: modmain.f90:977
logical spinpol
Definition: modmain.f90:230
integer ndmag
Definition: modmain.f90:240
real(8) engykn
Definition: modmain.f90:957
real(8) momtotm
Definition: modmain.f90:743
real(8) fermidos
Definition: modmain.f90:909
real(8), dimension(:,:), allocatable forcetot
Definition: modmain.f90:995
logical tforce
Definition: modmain.f90:991
real(8) engytot
Definition: modmain.f90:985
real(8) engyc
Definition: modmain.f90:979
integer natmtot
Definition: modmain.f90:40
real(8), dimension(2) bandgap
Definition: modmain.f90:911
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
real(8) evalsmv
Definition: modmain.f90:949