UT theoretical chemistry code forum

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 check...

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 surpr...