[Wien] run_lapw -hf (complex case)

[Luis Ogando]

Dear Prof. Tran,

   Thank you for your attention !
   So, the sequence is the same for the complex and real cases with
non-spin-polarized systems. Am I right ?
   All the best,
                Luis


2016-11-07 14:50 GMT-02:00 <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
>>
>>
>>
>>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/index.html
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161107/013d2391/attachment.html>