Guillaume Brunin

Dear goodwilling, Thank you for your interest in our driver ! We appreciate any feedback on these new features. One should be careful when using the lifetimes computed by ABINIT...

Hi goodwilling, (1) We managed to run mobility computations for systems up to 20 atoms without major issues. Of course, we use supercomputers, since these remain demanding computations. We were...

Thanks for your comments @ardunn. I agree that the third option is best, I just wanted to lay out the possible ways to handle these NaNs that I could see....

Hi, I have (finally) made some tests with the 3rd option that has been discussed here. Tagging @ml-evs since he was also part of the process and developments. Here are...