[Wien] I need your help
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu May 12 20:46:06 CEST 2011
Just a few days ago I changed the link and it points now to the 11.1 executables.
Am 12.05.2011 11:13, schrieb 水牧 仁一朗:
> 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
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>> --
>> -----------------------------------------
>> 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
> --------------------------------------------------------------
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
-----------------------------------------
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
-----------------------------------------
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