[Wien] configure input file for TETRA

2012-08-20 Thread Viktor Zano
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[Wien] configure input file for TETRA

2012-08-20 Thread Peter Blaha
*Although is sounds very reasonball, I tried with another browser (Chrome) and still have that problem!!!* *I didn't a real full answer, this is from the manual:* *case.qtl Contains eigenvalues and corresponding partial charges (bandwise) in a form suitable for tetra and band structure

[Wien] Plotting the .rho file

2012-08-20 Thread Joshua Davis
. any suggestions would be appreciated Josh -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120820/69a6a893/attachment.htm

[Wien] Plotting the .rho file

2012-08-20 Thread Laurence Marks
Matlab or similar? On Mon, Aug 20, 2012 at 5:03 PM, Joshua Davis davis101 at chemistry.msu.edu wrote: Hey Wien2K Users I just have a general question about the density generated by lapw 5. Do any of you have any recommendations for plotting the .rho data outputted by this program,