Comment by HiPHInch

Comment by HiPHInch 2 days ago

0 replies

You are right. But I think nearly a half of DFT calcs are done with VASP.

Particularly, if one using ASE or other higher level wrapper of calculators(like quacc), he can share all the params in just one python script.

If not, just share the INCARs and POSCARs using a github link or whatsoever.