[Wien] configure input file for TETRA

2012-08-12 Thread Viktor Zano
ital"). Where can I get a full list of the orbitals (I mainly look for different f orbitals in cubic system). How can I fix that "configure *.int" button ? Thanks -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/03f0b96b/attachment.htm>

[Wien] configure input file for TETRA

2012-08-12 Thread Jameson Maibam
button?? Thanks ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/6100bd2c/attachment.htm>

[Wien] -eece and -hf switch for hybrid functionals

2012-08-12 Thread Peter Blaha
No, full hybrids are not supported in w2web. You have to use the command line and follow the procedures indicated in the UG. Am 12.08.2012 15:52, schrieb ali ghafari: > Dear Prof. Blaha and users > > In the page 68 of UG, it has mentioned that for using hybrid functionals such > as B3LYP we shou

[Wien] configure input file for TETRA

2012-08-12 Thread Viktor Zano
ien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > ___ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/84a6ba27/attachment.htm>

[Wien] question about VZERO

2012-08-12 Thread Barbara Jones
Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/e8815064/attachm

[Wien] -eece and -hf switch for hybrid functionals

2012-08-12 Thread ali ghafari
_ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/9f79c6a9/attachment.htm>

[Wien] configure input file for TETRA

2012-08-12 Thread Viktor Zano
ot; S orbital"). Where can I get a full list of the orbitals (I mainly look for different f orbitals in cubic system). I didn't find it in the useguide! How can I fix that "configure *.int" button ? Thanks -- next part -- An HTML attachment was scrubbe

[Wien] permop.f

2012-08-12 Thread Saeid Jalali
w.ui.ac.ir/ /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/050c318e/attachment.htm>

[Wien] -eece and -hf switch for hybrid functionals

2012-08-12 Thread ali ghafari
at the terminal? ? Best Regards Ali -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120812/eaa66027/attachment.htm>