[Wien] About EECE SO

2012-11-26 Thread Francisco Garcia
Dear users, I have a question about the order in which -so and -eece calculations are run. (a) First -so. In the userguide, the steps are runsp_lapw... (without -so flag)-initso---runsp_lapw -so.. I would like to know if above set of steps is equivalent to any of the two steps

[Wien] Transport property calcualtions

2012-11-26 Thread Victor Pardo
Applied Physics Department Universidade Santiago de Compostela - Spain http://spin04.usc.es/vpardo/index.htm -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121126/aa3b7585/attachment.htm