[Wien] run_lapw -hf (complex case)

[tran at theochem.tuwien.ac.at]

It is not necessary to include -c since the x script detects
automatically if the calculation is complex.


On Monday 2016-11-07 17:28, Luis Ogando wrote:

>Date: Mon, 7 Nov 2016 17:28:50
>From: Luis Ogando <lcodacal at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] run_lapw -hf (complex case)
>
>Dear Wien2k community,
>
>   On page 51 of the User Guide (Wien2k 14.2) one can read the following sequence of commands corresponding to " run_lapw -hf " for the
>non-spin-polarized and real case:
>
> x lapw0 -grr (semilocal exchange)
> x lapw0 (semilocal exchange-correlation)
> x lapw1 (semilocal orbitals)
> x lapw2 (semilocal bands)
> mv case.vectorhf case.vectorhf_old
> x hf (hybrid orbitals)
> cp case.klist_fbz case.klist, cp case.kgen_fbz case.kgen
> x lapw2 -hf (hybrid electron density and bands)
> cp case.klist_ibz case.klist, cp case.kgen_ibz case.kgen
> x lcore
> x mixer
>
>   I would like to know the correspondent sequence for the non-spin-polarized but complex case. It would be the same sequence but including " -c
>" when appropriate ?
>   Thank you,
>                Luis
>
> 
>
>