Search found 2 matches
- Fri Jan 30, 2009 3:42 pm
- Forum: VTSTTools
- Topic: DynMat calculations
- Replies: 18
- Views: 225915
Re: DynMat calculations
I checked the VTST versions in both runs, and indeed they are different. The newer version, 2.03c stops after 2 steps. Version 2.01b, on the other hand, seems to run OK, in that it continues beyond these 2 steps. Yet, the job (NSW=433 in my case) just mysteriously dies after 100 or so steps. I ...
- Thu Jan 15, 2009 12:55 pm
- Forum: VTSTTools
- Topic: DynMat calculations
- Replies: 18
- Views: 225915
Re: DynMat calculations
Hi,
I am also trying to use the VTSTTools to compute the dynamical matrix. Running vasp 4.6.34 I have precisely the problem mentioned earlier here. The job stops after two steps. Then I used an earlier version, vasp 4.6.28 using precisely the same input files (INCAR, DISPLACECAR etc) and to my ...
I am also trying to use the VTSTTools to compute the dynamical matrix. Running vasp 4.6.34 I have precisely the problem mentioned earlier here. The job stops after two steps. Then I used an earlier version, vasp 4.6.28 using precisely the same input files (INCAR, DISPLACECAR etc) and to my ...