isobestico

Results 2 comments of isobestico

Segmentation fault while running examples

Hello, I am not sure if you are using the last version of SCPC release, so I will invite you to send me an email in my professional email at...

Energy Convergence Issue

https://github.com/aradi/SCPC-Method/tree/main/VASP 2.1 Only single point calculation. The SCPC, by the moment, cannot be used for ions/cell optimization. You can turn on the SCPC method but there won't have any effect...