[Wien] Regarding WIEN2K

sikander Azam sikander.physicst at gmail.com
Fri Apr 15 19:22:27 CEST 2016


Resp sir Petr Blaha
Thanks sir, for your reply.
Regards
Sikander
On 15 Apr 2016 14:54, "Peter Blaha" <pblaha at theochem.tuwien.ac.at> wrote:

> There are MANY very good codes out on the market, both with
> pseudopotentials and all-electrons.
>
> All codes have there advantages AND disadvantages and therefore it is good
> if one (usually the supervisor) knows the merrits of the different
> methods/codes.
>
> In any case, I always say: the best code is the code, which you can
> master, because in 99% of the cases a code could do the job, but you do not
> know how to do it with this particular code.
>
> WIEN2k is generally believed to be a fairly user-friendly code and has
> reasonable default input settings. In addition it has a mailing list where
> one can ask questions like this.
>
>
> On 04/14/2016 06:31 PM, sikander Azam wrote:
>
>> Dear sir Petr Blaha and others
>> Why FOR FPLAPW method WIEN2K code is preferred than other FP codes like
>> fleur code and others.
>> Regards
>> Sikander
>>
>>
>>
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>>
> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
> --------------------------------------------------------------------------
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