[Wien] help required

--- ___ 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/20120808/ebd38772/attachment.htm>

[Wien] Electric Field Effects

Thank you for your quick help with my electric field question. I have a couple of other related questions that I am still puzzled about. The first question is the applicability of the Berry phase approach. From what I understand, the Berry phase approach is usually couched within the density

[Wien] help required

The message tells you everything: > forrtl: severe (179): Cannot allocate array - overflow on array size > calculation. For this calculation you may need a bigger computer (more RAM), or use the mpi-parallel version (if you have a corresponding hardware) or MOST LIKELY: make sure your cell is

[Wien] Electric Field Effects

I have not done anything else with electric fields since these old papers. We used very large fields (much larger than experiment, otherwise the effects were too small. About Berry phases I'm not an expert, but it seems to be the currently accepted approach. Am 08.08.2012 07:29, schrieb Paul F

[Wien] Invitation to connect on LinkedIn

n HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120808/1188e053/attachment.htm>

[Wien] lapw1c error

hwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi ___ 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/20120808/26fca035/attachment.htm>

[Wien] update-Version of Ortho-elast

-- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120808/55d8ae03/attachment.htm>

[Wien] help required

art -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120808/45e8530c/attachment.htm>