[Wien] wien2k_14.2

[Peter Blaha]

Thanks for the quick response. I made an error in updating these 2 directories.

new versions of WIEN2k_14.tar and SRC_w2w.tar.gz SRC_trig.tar.gz are on the web.




Am 16.10.2014 17:26, schrieb Osama Yassin:
> Dear Prof Blaha
>
> Thank you for the effort you do for making Wien2k more stronger. I'm very happy with it.
>
> I downloaded version 14.2 and everything went file except the following message:
>
> compile time errors (if any) were:
>
> SRC_trig/compile.msg:shifteig.f(12): error #6580: Name in only-list does not exist.   [DOREALLOCATE]
> SRC_trig/compile.msg:make: *** [shifteig.o] Error 1
> SRC_w2w/compile.msg:make: *** [w2w] Error 1
> SRC_w2w/compile.msg:make: *** [w2wc] Error 1
>
> I use intel ifort 11.0
>
> =============
>
> O A  Yassin
>
> On Thu, Oct 16, 2014 at 5:26 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>> wrote:
>
>     Dear wien2k users,
>
>     Following the suggestions during the discussions at the last wien2k workshop, I'd like to release a new version,
>
>     wien2k_14.2
>
>     It contains fixes to all comments/problems/bugs mentioned recently on the mailing list, as well as some enhancements for nn (atoms at identical positions detected),
>     w2w, 2DRoptimize, nmr.
>
>     Besides that, it should be an IMPORTANT update for all   w2web  users, as this interface has been significantly enhanced (in particular for the "TASKs" section, but
>     also removing the "-c" problem, ...).
>
>     Regards
>     --
>
>                                            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 <mailto:blaha at theochem.tuwien.ac.at>    WIEN2k: http://www.wien2k.at
>     WWW: http://www.imc.tuwien.ac.at/__staff/tc_group_e.php <http://www.imc.tuwien.ac.at/staff/tc_group_e.php>
>     ------------------------------__------------------------------__--------------
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------