[Wien] Suggest me any source documents about XMCD in wien2k steps.

2013-10-26 Thread Santu Baidya
Dear wien2k users,

I am using wien2k version WIEN2k_12.1 to do XMCD and XAS calculation. I
have found several ppts describing theoretical aspects connecting wien2k
but I could not find technical details steps to do XAS and XMCD calculation
in wien2k.

Could anyone suggest me how can I learn XMCD calculation in wien2k.

Thanks.

Santu Baidya
SRF, CMPMS
SNBNCBS
Kolkata-700098






*The happiest people do not always have the best of all,* * they simply
appreciate  what they find on their way!!! SANTU
*
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Re: [Wien] Suggest me any source documents about XMCD in wien2k steps.

2013-10-26 Thread Gavin Abo


I am using wien2k version WIEN2k_12.1 to do XMCD and XAS 
calculation. I have found several ppts describing theoretical aspects 
connecting wien2k but I could not find technical details steps to do 
XAS and XMCD calculation in wien2k.


Could anyone suggest me how can I learn XMCD calculation in wien2k.


There is an XMCD procedure in section 8.15 of the UG 
[http://www.wien2k.at/reg_user/textbooks/usersguide.pdf], but you will 
also likely what to read section 8.8 in the UG on the JOINT program.

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