Sam Bakhtiari

2 Questions 1 Answers 0 Followers

Questions related from Sam Bakhtiari

Restart VASP job with IBRION=6?

Hi All, I am looking to perform calculations using IBRION=6 in VASP to extract the elastic properties of a system. Due to the wall time limit of the supercomputer that I use, the job gets killed...

14 October 2020 4,650 6 View

Fixing monoclinic angle and then relaxing all other degrees of freedom via VASP?

Hi All, I would like to fix monoclinic angle and then relax all other degrees of freedom using VASP. Could you please help me out? I have tried ISIF=7 which relaxes cell volume but I am looking...

05 September 2016 2,795 2 View