[Wien] I need your help

[Peter Blaha]

The description from the UG should be correct.
I know that we changed slightly the input to be compatible with the
original input files.

I ran the example myself and it seemed to work.
However, it is a new option and it is always possible that some mistake,
either in the integration of the source code or in the description has been
made.
Please try to run the Fe example and follow the instructions in the UG as
close as possible.

If there are still problems, I need more detailed information.


Am 28.04.2011 12:12, schrieb 水牧 仁一朗:
> Dear Prof. Peter Blaha
> 
> I try to X-ray MCD spectra calculation by OPTIC.
> Although I read Wien2k mannual for Ver. 11,
> I cannot understand how to use.
> And I read the paper published condmat( arXiv:1104.1558v1)
> 
> The input file format in Wien2k is different from that of the above paper.
> 
> Which description content is right ?
> 
> Please tell me.
> 
> Sincerely,
> 
> Masaichiro Mizumaki
> 
> 
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------