[Wien] I need your help

水牧 仁一朗 mizumaki at spring8.or.jp
Thu May 12 11:13:29 CEST 2011


Dear Prof. Peter Blaha,

Thank you for your help.

And I have one more question.

I downlaoded Wien2k Ver. 11.
I expanded .tar files.
I could not find the executable files of Ver. 11 but Ver. 10.

Can I think this files are Ver. 11 ?

Sincerely, 

Masaichiro MIzumaki 





On 2011/04/29, at 15:04, Peter Blaha wrote:

> 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
>> 
>> 
>> ------------------------------------------------------------
>> 〒679-5198 兵庫県佐用郡佐用町光都1-1-1
>> 財団法人高輝度光科学研究センター
>> 利用研究促進部門・分光物性グループ 
>> 水牧仁一朗
>> Tel:  0791-58-0802-3870
>> Fax: 0791-58-0830
>> E-mail: mizumaki at spring8.or.jp
>> --------------------------------------------------------------
>> 
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
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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
> -----------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

------------------------------------------------------------
〒679-5198 兵庫県佐用郡佐用町光都1-1-1
財団法人高輝度光科学研究センター
利用研究促進部門・分光物性グループ 
水牧仁一朗
Tel:  0791-58-0802-3870
Fax: 0791-58-0830
E-mail: mizumaki at spring8.or.jp
--------------------------------------------------------------



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