2 ms·
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 quac
by HiPHInch 2y ago
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.