[Wien] no effect in shifting of f bands on application of hubbard U

zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- MANA, National Institute for Materials Science (NIMS) 1-1 Namiki, Tsukuba, Japan -- next part -- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130102/071822bd/attachment.htm>

[Wien] no effect in shifting of f bands on application of hubbard U

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[Wien] Error in LSDA+U

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[Wien] Error in LSDA+U calculation

Respected Prof. P. Blaha Sir and All wien2k users, Wish you all a very happy new year 2013.

[Wien] Error in LSDA+U calculation

On 01/02/2013 01:20 PM, SANJAY KUMAR SINGH wrote: > Respected Prof. P. Blaha Sir and All wien2k users, > > Wish you all a very happy new year 2013. > From last three days I am facing two issues with LSDA+U calculation on

[Wien] no effect in shifting of f bands on application of hubbard U

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[Wien] interface energy

Here is an example on calculation of a formation energy for antiphase boundaries in III-V semiconductors using Wien2k (http://www.tbrri.com/~orubel/publications/2009/IntJMolSci_v10_p5104_y2009.pdf) I hope it will help. Oleg >>> On 12/24/2012 at 9:11 AM, in message <1356358290.40124.YahooMailCla