[Wien] Invitation to connect on LinkedIn

2012-08-08 Thread Lucas Fernández Seivane via LinkedIn
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[Wien] Electric Field Effects

2012-08-08 Thread Paul Fons
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

2012-08-08 Thread arqum hashmi
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[Wien] Electric Field Effects

2012-08-08 Thread Peter Blaha
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

[Wien] help required

2012-08-08 Thread Peter Blaha
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] update-Version of Ortho-elast

2012-08-08 Thread morteza jamal
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[Wien] lapw1c error

2012-08-08 Thread hazem salem
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[Wien] help required

2012-08-08 Thread arqum hashmi
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