[
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08031.html
], and you could try the shifting of k-vectors trick [
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08217.html
].
On 8/13/2015 3:23 AM, 남태식 wrote:
Hi. I'm
using WIEN2k_14.2 version and have
Hi. I'm using WIEN2k_14.2 version and have probelm on irrep (irreducible representation) calculation.My system is CeFe2Al10 with spacegroup #63 (Cmcm).I implemented scf cycle, with spin-orbit coupling (init_lapw and initso_lapw) spin non-polarized, and plotted band
Hi. I'm using WIEN2k_14.2 version and have probelm on irrep (irreducible representation) calculation.My system is CeFe2Al10 with spacegroup #63 (Cmcm).I implemented scf cycle, with spin-orbit coupling (init_lapw and initso_lapw) spin non-polarized, and plotted band
3 matches
Mail list logo
