[Pw_forum] gam.lines file problem and suggestion for a fix

bahadir bahadira at buffalo.edu
Fri Mar 30 04:07:27 CEST 2012


i had a problem of formating of gam.lines file which gives the values in 
first column as '*****'. after checking the matdyn.f90 source, i 
realized that the values are formatted as INTEGER so cannot display 
float numbers so it shows stars. i just overcome this problem just 
changing the code block as in below
and defining a new FORMAT as numbered 1031.

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
if(.not.dos.and.ionode) then
         write(20,'(" Broadening ",F8.4)')  deg(isig)
         write(6,'(" Broadening ",F8.4)')  deg(isig)
         do n=1, nq
            write(20,1031) n   ! this line is added
            write(20,1030) (gamma(i,n)*RY_TO_THZ,i=1,3*nat)  ! this line 
is changed
            write(6,1040) n, (gamma(i,n),i=1,3*nat)
         end do
      endif

1031 FORMAT( 3x,I5)  ! new format style
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

hope this helps people who get the same problem.

ps: output format can be changed in the same way if neccesary

bahadir

-- 
Dr.Bahadir Altintas

* Dept. of Chemistry
  SUNY Buffalo
  NY,USA

* Abant Izzet Baysal University
   Dept. of Computer Education
   Bolu,Turkey




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