stress unit convertion from kB to GPa? potcar for He?
Posted: Thu Feb 14, 2008 3:51 am
Dear administer:
When searching in vasp source code, I could not find out how its unit for stress kB is defined and how to convert it into GPa, could anyone tell me where I could find out answer? Thanks a lot.
Another question, I need to insert noble gas He into silica system. But I found no POTCAR file for He in vasp document. The directory under He is empty. So what should I do with that? thanks a lot.
When searching in vasp source code, I could not find out how its unit for stress kB is defined and how to convert it into GPa, could anyone tell me where I could find out answer? Thanks a lot.
Another question, I need to insert noble gas He into silica system. But I found no POTCAR file for He in vasp document. The directory under He is empty. So what should I do with that? thanks a lot.