Re: [Wien] Need help for purchasing hardware

At the end, only a benchmark can tell. These are a bit older processors, but they have the advantage of 4 memory channels (instead of 2). Since we know that when all cores are used, the speed is limited by the memory, it could well be that they are faster in these cases (and usually, due to pa

Re: [Wien] query for elastic constants

Dear Sir, Thank you very much for your reply. Sorry for the late response as I was doing phonon calculation with LDA. I found that with LDA, the system shows thermodynamic stability, and that's why I was getting all frequency positive at compressive strain when I was using PBE. Can I proceed with

[Wien] modified analyze_phonon file

Dear Prof. P. Blaha, With version 21.1, the precise positions of the atoms are added to case.struct, so the analyze_phonon script (which works with PHONON code) copies, to case.finM, the positions instead of the symmetry operations I modified the script (the modified part is indicated by H. Bouafia