Calphy does not use NVT

Question

Calphy does not use NVT

Closed this issue 4 months ago · 1 comments

Copy of srmnitc/calphy-publication-examples#2

Answer 1 · 2024-05-20T21:20:51.000Z

Hi @ZAhra-Rjz I was unable to reproduce this error. Upon taking a closer look, it seems that use have used the npt keyword under md section. This is not correct. npt is one of the main keywords, appearing under calculations, see docs. I am going to go ahead and close this issue, feel free to reopen if needed.