Re: [Wien] running PBEsol

2015-05-25 Thread tran
Yes, it's enough to choose PBEsol during init_lapw. The important is that the correct potential is selected in case.in0 (first line). On Mon, 25 May 2015, Seyyed Amir Abbas Emami wrote: ​Dear wien2k users I am using WIEN2k_12.1. I want to use PBEsol potential in my calculation. As i know,

[Wien] running PBEsol

2015-05-24 Thread Seyyed Amir Abbas Emami
​Dear wien2k users I am using WIEN2k_12.1. I want to use PBEsol potential in my calculation. As i know, some potential approximation in WIEN2K require prerequisites (i.e. mBJLDA).Now choosing only the PBEsol option in LSTART is sufficient and don't require any further steps. Thank you in