Dear Wien2k Users,
I am studying a material having SG 129 (P4/nmm). The author of the paper
reported the BZ path in the band structure along Gamma-F-Q-Z-Gamma.
The space group of this material is 129 (P4/nmm) and the available
literature suggests the BZ path along: G-X-M-G-Z-R-A-G-X-R-M-A as can
Dear Prof. Blaha
I am working on half heusler compounds using HF potential. When I plot DOS
curve, then there is no peak seen at conduction band side. But same time i plot
DOS plot using GGA-PBE complete curve seen at both sides. I followed all the
steps given in manual for HF Potential -
Dear professor
Thank you for your directions sir. I will try to understand this procedure.
Prasad
On Wednesday, July 31, 2019, 5:08:34 p.m. CST, Laurence Marks
wrote:
N.B., I should of course have said Hermitian, not symmetric.
N.N.B., the extension to include spin-orbit is simple.
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