Re: [Wien] GLLB-SC potential

Hi, For me your TiC example works (mixer does not crash). Maybe try again in a new directory. Beside this, you should correct a few things in your steps: 1) use "run_lapw" instead of "runsp_lapw" because TiC is non-magnetic. 2) For the GLLB-SC calculation, the first line of case.in0 should be TO

Re: [Wien] GLLB-SC potential

Dear Dr. Tran or any developer/user I am trying to learn GLLB calculation. So far I have doe only PBE/PBESol/LDA calculations only. I followed the user guide (18.2 version) "4.5.11 GLLB-SC method" section. I followed the following steps with TiC structure. 1. After creating the structure, I initi

Re: [Wien] STM

Dear Prof. Laurence and Peter, Thank you very much for making it more clear. It looks like I have to copy from the UG STM mode of lapw5, because in case.in5 from SRC_templates, the STM mode lines are missing. With kind regards. Lawal On Friday, December 7, 2018, 3:20:56 PM GMT+8, Pet