[Wien] New Version: WIEN2k_12

[Luis Balicas]

Dear Prof. Blaha,

My original Wien2K licence # is W2k-1528.

By some silly reason I lost the information to access your website and download the new version.

Can you help me with that?

Thanks!

Luis

----- Original Message -----
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, July 24, 2012 10:56:33 AM
Subject: [Wien] New Version: WIEN2k_12

Dear WIEN2k users,

A new version, WIEN2k_12 is available for download.

It is a major upgrade with various improvements and bug fixes (and hopefully
not too many new bugs ...).

In particular it includes a   "HF-module", so that full hybrid-DFT calculations
(YS-PBE0, which is "equivalent" to HSE) is possible. However, such calculations are
1-2 orders of magnitude more expensive than standard GGA. For these reasons,
a mpi-version of the hf-module is available (and very useful, even for small
systems).

Also the mixer has been updated again and the MSR1a option is now quite stable and fast
for many structure optimization tasks.

For more information, please check the "update" page of the UG.
-- 

                                       P.Blaha
--------------------------------------------------------------------------
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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-- 
***********************************
Dr. Luis Balicas,
Scientist,
National High Magnetic Field Lab,
Florida State University,
1800, E. Paul Dirac Dr.
Tallahassee-FL, 32310, USA
Phone: +1-850-644-4201
Fax: +1-850-644-3058
***********************************