[Wien] bulk modules of a cubic perovskite

Dear users How do we determine the exact/appropriate value of bulk modulus in wien2k if the material is about to report the first time in literature? I see with the varying method the bulk modules changes significantly. Thanks, N. Fatima ___ Wien

Re: [Wien] Magnetocrystalline anisotropy

But mixing is switched off in case.inorb !! On 01/17/2018 09:54 AM, William Lafargue-dit-Hauret wrote: Dear Prof. Blaha and Marks, Thank you for your comments and suggestions. Looking at the SRC_orb/main.f, orb seems to read potential files to mix with old vorb files. William Le

Re: [Wien] Magnetocrystalline anisotropy

Dear Prof. Blaha and Marks, Thank you for your comments and suggestions. Looking at the SRC_orb/main.f, orb seems to read potential files to mix with old vorb files. William Le 17/01/2018 à 08:03, Peter Blaha a écrit : Just a few comments: In many posts to this topic I saw the   -c