[Wien] WIEN2k_13

Saeid Jalali s_jalali_a at yahoo.com
Tue Jun 25 21:42:52 CEST 2013


Hi Peter,
Congratulation! I would like here to appreciate your nice efforts in releasing the new WIEN2k version 13.1 including the important chemical shift NMR calculations based on PHYSICAL REVIEW B 85, 035132 (2012) . I see that siteconfig_lapw is now more friendly helps the users to install the code. 
Although the new usersguide, Release 06/25/2013, is included in the $WIENROOT/SRC/ directory, the following link (Release 30.08.2012) is not still updated:
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf

Thank you again,
Best regards,
Saeid.
 
Sincerely yours,
S. Jalali
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Saeid Jalali Asadabadi,
Department of Physics, Faculty of Science,
University of Isfahan (UI), Hezar Gerib Avenue,
81744 Isfahan, Iran.
Phones:
Dep. of Phys.   :+98-0311-793 2435
Office               :+98-0311-793 4776
Fax No.            :+98-0311-793 4800
E-mail              :sjalali at phys.ui.ac.ir
                          :sjalali at sci.ui.ac.ir
                          :sjalali at mailaps.org
                          :saeid.jalali.asadabadi at gmail.com
                          :s_jalali_a at yahoo.com
Homepage        :http://sci.ui.ac.ir/~sjalali
www                  :http://www.ui.ac.ir
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________________________________
 From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Tuesday, June 25, 2013 8:08 PM
Subject: [Wien] WIEN2k_13
 

Dear Wien2k users.

It's a pleasure to announce the new WIEN2k version 13.1

It contains several new features and in particular also the new NMR (Chemical shift) module.

For more information see  http://www.wien2k.at/reg_user/updates

PS: Of course, the update is free of charge for all registered users, even when you registered back in 2001 !!

Good luck
-- 
                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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