[Wien] How to get lattice parameter as a function of pressure?

2016-05-27 Thread Wangwei Lan
Dear WIEN2K user, Can you tell me how to extract lattice parameter as a function of pressure? I didn't find it in case.eosfit as mentioned here http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04276.html After x eosfit, in the case.eosfit, I can only find three colums, which I

[Wien] Lapw0 parallel

2016-06-24 Thread Wangwei Lan
that requires 128 cores. However, it's seems impossible for me to use so many cores at this time. Is my understanding correct on this issue? Does anyone have a good idea on how to solve this problem? Thanks in advance. Best Regards Wangwei Lan ___ Wien