UT theoretical chemistry code forum

Dear Dr. Graeme, I was able to compile VASP with UT codes. However on running a dimer calculation, it performs well until the end of the 1st electronic optimization step. I can see that the electronic structure has converged, however it doesn't start updating the ions and move to the next ionic step...

Never mind, I saw an update in the VTST3 codes section. I will try implement that

viewtopic.php?f=2&t=1285

Hi,

I am also facing the same issue. VASP was compiled with VTST version 3.0b, and when I grep "VTST" OUTCAR, I get the compilation version and date. A DIMCAR is created, however no output seems to be printing to the file.

Were you able to resolve this issue?

Regards,