ABINIT Discussion Forums

Hi Gmatteo, Thank you for your help and really appreciated. I have one question regarding Berry Phase calculation of polarisation of GeS. In my calculation, For pseudopotential I have used ONCVPSP (Ge.psp8,S.psp8). Finally, I was able to get polarisation 0.253 C/m^2 which doesn't match with actual v...

Hi abinit users, I have been using abinit for various calculations but got an error when trying to calculate Berry phase polarisations for AlAs given in abinit website version 8.4.4. My input file ,log files are attached below: On top of that I used same version(8.4.4) of abinit to submit my job. Co...