WIEN2K课件资料

刚才去Wien2k的官网逛了一圈，发现有一些不错的课件，转到这里大家看看。

转自：




DFT and the Family of (L)APW-methods: a step-by-step introduction (pdf) or (ps-version)
A very nice introduction to DFT, (L)APW and the WIEN2k code by S.Cottenier (Univ. Leuven). Highly recommended for newcomers in this field.


H. Tsuchiura et al., Magnetics Jpn. Vol. 3, No. 12, 2008.


Technical notes with details and tips how to optimize your structure with respect to internal positions and lattice parameters; by L.Marks, S.Cottenier and PB)


Technical details how electric field gradients can be analysed using the WIEN2k code (by K.Koch and S.Cottenier)


Technical details how gradients of the density are calculated in WIEN2k code (by J.Sofo, PennState)


by T. Charpin (not updated)


by P. Novak, Prague (not updated)

New notes about Hyperfinefield calculations (ps)
by P. Novak, Prague (Dec. 2006)

Notes about Hyperfinefield calculations (ps)
by P. Novak, Prague (Oct. 2006)


by P. Novak, Prague (not updated)


by P. Novak, Prague (not updated)

Notes about constraint LDA calculations to determine U (pdf)
by G. Madsen and P. Novak (not updated)

Notes about crossterm (spin-up/dn in SO-calculations) corrections in orbital potentials (ps)
by P. Novak, Prague (not updated)

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