[Wien] Small issue in W2WEB of WIEN2k_14

[Fecher, Gerhard]

thanks Peter

problem is healed

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: Freitag, 12. September 2014 16:38
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Small issue in W2WEB of WIEN2k_14

I can verify this bug:

Fix:

In SRC_w2web/htdocs/exec   modify in dos.pl and optic.pl all:

CASE.in1$compl   into    CASE.in1$filec

(3 changes in the file).

On 09/12/2014 04:19 PM, Fecher, Gerhard wrote:
> 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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--

                                       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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