Re: [Wien] scf2forces

First of all Von meinem iPhone gesendet Am 21.04.2016 um 08:10 schrieb Rajneesh Chaurasiya >: Dear Gavin, I have successfully installed the phonopy 1.10.0 and run the example. but when i compute phonon part of our new material then it

Re: [Wien] scf2forces

First of all you must create structS files with phonopy and calculate the forces in these files with WIEN2k, which are in the case.scf files Von meinem iPhone gesendet Am 21.04.2016 um 08:10 schrieb Rajneesh Chaurasiya >: Dear Gavin, I have