[Wien] SDW calculation

2010-12-30 Thread pu...@iitk.ac.in
Dear Prof Blaha and WIEN2K user, I plot the Fermi surface for the pnictide superconductors in non magnetic case.I get parallel Fermi surfaces inside the Brillouin zone.That means There should be nesting in between the parallel surfaces.And that nesting results some kind of Spin density wave(SDW)

[Wien] Wien2k install compiling error?

2010-12-30 Thread lucking-pine
... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101230/ff660abe/attachment.htm

[Wien] Wien2k install compiling error?

2010-12-30 Thread Laurence Marks
It means what it says -- ignore this, it is not an issue. 2010/12/30 lucking-pine songsong19840614 at gmail.com: Why does note No Makefile.orig in SRC,when I make compile option. such as: Recommended options for system linuxifc are: Compiler options:??? -FR -mp1 -w -prec_div -pc80

[Wien] Suggestions on case.d45 file and command line options

2010-12-30 Thread Ghosh SUDDHASATTWA
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101230/a9015a04/attachment.htm -- next part -- An embedded and charset-unspecified text was scrubbed... Name: ATT00057.txt URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101230/a9015a04/attachment.txt

[Wien] Suggestions on case.d45 file and command line options

2010-12-30 Thread Gerhard Fecher
the program asks you to continue with enter (see below exit with ENTER-key only), so why don't you just do it ? Ciao Gerhard Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz

[Wien] Suggestions on case.d45 file and command line options

2010-12-30 Thread Ghosh SUDDHASATTWA
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101230/7946a046/attachment.htm

[Wien] Suggestions on case.d45 file and command line options

2010-12-30 Thread Ghosh SUDDHASATTWA
was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101230/d52be550/attachment.htm

[Wien] Suggestions on case.d45 file and command line options

2010-12-30 Thread Ghosh SUDDHASATTWA
in this message. Checked by AVG - www.avg.com Version: 10.0.1170 / Virus Database: 1435/3347 - Release Date: 12/29/10 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101230/d052979c/attachment.htm