philippe.baranek at edfgdf.fr
Tue Oct 19 12:00:04 CEST 2004
Dear pwscf users,
I have got some problems with vc-relax calculations
The calculations are running without printing any informations
about new cell parameters and atomic positions. Furthermore,
the optimisations seems to be locked around the pressure from
the starting. The variation of stress matrix components are of the order
of the second decimal in kbar.
Would anyone of you have the same problems and could help me ?
Thanks in advance
More information about the users