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edoapra 2021-12-03 13:48:26 -08:00
parent ab99e92232
commit 4e545bd5c0
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2 changed files with 3 additions and 3 deletions
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2
src/vib/vib_istep.F
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@ -259,7 +259,7 @@ c
endif
if (.not.rtdb_cget(rtdb,'vib:animate:filename',
& 1,filesetname)) then
filesetname = ""
filesetname = " "
endif
filesetnamelength = inp_strlen(filesetname)
cur_step = 0.0d00

4
src/vib/vib_phonon.F
View file

@ -550,7 +550,7 @@ c **** animate at kq=<0,0,0> if no dispersion specified ****
call util_ascii_setwindow(emin*autocm,emax*autocm,
> gmin/autocm,gmax/autocm)
!write(luout,'(A,E10.3,A)') "gmax=",gmax/autocm," states/cm-1"
call util_ascii_plotter("",luout,npoints,efn(1,1),efn(1,2),'*',
call util_ascii_plotter(" ",luout,npoints,efn(1,1),efn(1,2),'*',
> "g(w) - Vibrational Density of States",
> "w (cm-1)","g(w) (states/cm-1)")
!write(luout,'(A,E10.3,A)') "gmin=",gmin/autocm," states/cm-1"
@ -560,7 +560,7 @@ c **** animate at kq=<0,0,0> if no dispersion specified ****
write(luout,*)
call util_ascii_setwindow(emin*autocm,emax*autocm,nmin,nmax)
!write(luout,'(A,F7.1,A)') "Nmax=",nmax," states"
call util_ascii_plotter("",luout,npoints,efn(1,1),efn(1,3),'*',
call util_ascii_plotter(" ",luout,npoints,efn(1,1),efn(1,3),'*',
> "N(w) - Number of Vibrational States",
> "w (cm-1)", "N(w) (states)")
!write(luout,'(A,F7.1,A)') "Nmin=",nmin," states"