[Wien] select complex calculation by using init_lapw

[Bin Shao]

Dear Prof. Peter Blaha,

Thank you for your reply!


On Wed, Oct 27, 2010 at 3:37 PM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> init_lapw will determine the symmetry by itself and will find out that you
> do not have inversion symmetry.
> No need to worry.
>
> Am 27.10.2010 09:12, schrieb Bin Shao:
>
>> Dear all,
>>
>> I intend to initialize a complex calculation by using init_lapw, but I
>> have no idea how to make it for the information in init_lapw -h do not
>> mention option about complex
>> calculation (e.g. -c), or I just need to initialize a normal calculation
>> and then copy the case.in <http://case.in>* files into case.in <
>> http://case.in>*c?
>>
>>
>> Thank you in advance!
>>
>> Best regards,
>>
>> --
>> Bin Shao, Ph.D. Candidate
>> College of Information Technical Science, Nankai University
>> 94 Weijin Rd. Nankai Dist. Tianjin 300071, China
>> Email: binshao1118 at gmail.com <mailto:binshao1118 at gmail.com>
>>
>>
>>
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>>
>
> --
>
>                                      P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
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-- 
Bin Shao, Ph.D. Candidate
College of Information Technical Science, Nankai University
94 Weijin Rd. Nankai Dist. Tianjin 300071, China
Email: binshao1118 at gmail.com
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