[CPMD-list] sdlinres.F

[R.Jones]

The distributed version of sdlinresp.F does not allow the program to restart
if a linear response calculation of vibration frequencies is incomplete. Finite
difference calculations can be restarted.

The linear response calculation does restart if two lines are copied from the
corresponding place in secder.F. If, after

300   CONTINUE
      RVIB=.FALSE.

we add:

      CLOSE(24)
      CALL FILEOPEN(24,FILEN,'OLD')

things work better.

Cheers,
RJ

-- 
Robert O. Jones
Forschungszentrum J"ulich, IFF
D-52425 J"ulich, Germany.

e-mail : r.jones at fz-juelich.de
Tel.   : (+49) 2461-614202
Fax    : (+49) 2461-612850

WWW    : http://www.fz-juelich.de/iff/personen/R.Jones