[Wien] Full hybrid methode

Hi wien2k user,sI m trying to plot band structure with full hybrid in the following steps 1. x kgen2.klist_band3. run_bandplothf_lapw (lapw1 end. error in creat_stars 1)4.case.inspHow Can i dolce this error :  error in creat_stars 1 Thanks in advance

Re: [Wien] Full hybrid methode

As I said just a few days ago:   Never run   x kgen for a hybrid calculation. Read the UG carefully about hybrid calculations. There are certain constrains in the logic for the k-mesh, which is different than for a normal GGA calculation. Solution:   Hopefully, you have "saved" the

Re: [Wien] DOS with -hf

The steps are correct. The comment in the UG just says, that you can also use -p (for parallelization), but for this you would need a .machines file. If you don't want parallelization, forget about .machines. Am 18.01.2021 um 11:11 schrieb djamel slamnia: I need help to plot band

Re: [Wien] DOS with -hf

I need help to plot band structure with HF According to UG :1. Creat klist band2. Execut run_bandplothf_lapw but in this step They comment (but tout still need a filé .machines) ??? How come ? 3. Creat case.insp4. x spaghetti -hf I need correct steps plz.         And thanks in advanceLe