[Wien] Small issue in W2WEB of WIEN2k_14

Fecher, Gerhard fecher at uni-mainz.de
Fri Sep 12 16:19:17 CEST 2014


Hi Peter
under Tasks DOS is a new field OPTIONS
in Edit case.in1 it does not recognize a complex case it searches for in1 and not for in1c
the result for a complex case  is

System Error
Can't read file //home/someone/Wien2k/case/case.in1. 



Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Peter Blaha [pblaha at theochem.tuwien.ac.at]
Gesendet: Montag, 8. September 2014 15:12
An: A Mailing list for WIEN2k users
Betreff: [Wien] WIEN2k_14

Dear wien2k users,

After quite some struggle a new version, WIEN2k_14.1, has been released.

It contains among others:

- new versions of
      lapwso mpi-version, bug fixes),
      lapw0 (major changes and fixes, new XC-specification)
      lapw5  (new STM-mode)
      nmr
      w2web interface (batch-initialization as default, updated
           scf-switches, more optional steps in various "tasks".
      and many others
-new packages:
      wien2wannier,
      BerryPI,
      IRelast
-many new options and features:
      run(sp)_lapw  -dftd3 -min
      save_lapw (saves now by default also input files)
      init_mbj (varios parametrizations), better scf-convergence of mBJ

For a more detailed list of changes see:
                   http://www.wien2k.at/reg_user/updates/

I strongly recommend to update.

Please report any problems via the mailing list and I'll update quickly
if I can confirm the problem.

--

                                       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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