Re: [Wien] Does w2web work on Mac OS X?

2014-08-12 Thread Stefan Löffler
. HTH Stefan -- Stefan Löffler USTEM Vienna University of Technology T: +43 1 58801-45226 Wiedner Hauptstraße 8-10/E052 / A-1040 Wien F: +43 1 58801-13899 http://tinyurl.com/njcu47

[Wien] Bug: w2web runs instgen_lapw automatically with default options

2014-06-30 Thread Stefan Löffler
: if a proposed struct file is accepted, any existing case.inst file should me renamed (or removed), as it might include spin configurations for atoms that are no longer part of the struct file (e.g., due to changed equivalencies). Kind regards, Stefan Löffler -- Stefan Löffler

[Wien] Several (minor) bug fixes

2012-11-22 Thread Stefan Löffler
Dear list, over the last couple of weeks and months, I found a few minor problems and/or inconveniences, in particular in connection with w2web. Attached are fixes for most of them. *) SRC_w2web/htdocs/usersguide is a symlink to /area51/WIEN2k_11/SRC_usersguide_html, which I guess on most

[Wien] structeditor load struct problem with octave

2012-06-22 Thread Stefan Löffler
Hi, On 2012-06-21 19:40, Lucy Kiruri wrote: 3) s = loadstruct(Pb.struct) This is the wrong approach as it doesn't take Pb.struct as a string/filename but as a variable. I also tried s=loadstruct(Pb2.struct) This is the correct approach (BTW: why do you have Pb.struct above, and Pb2.struct