Dear Gavin, Thank you, the second; [2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13143.html of some "Pablo de la Mora" gave me the answer Pablo ________________________________ De: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de Gavin Abo <gabo13...@gmail.com> Enviado: lunes, 9 de mayo de 2022 08:49 p. m. Para: wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at> Asunto: Re: [Wien] Bandstructure with SO
The WIEN2k updates page [1] has: VERSION_21: 10.4.2021 ... • SRC_spaghetti: bz_lin.f: consistent use of toler (fixing additional black lines) Have you tried WIEN2k 21.1 having the above band structure black lines fix? You might also have to be careful with the band structure commands with there being differences for the SOC case [2,3]. [1] http://www.wien2k.at/reg_user/updates/ [2] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13143.html [3] https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12338.html On 5/9/2022 4:41 PM, delamora wrote: Dear Wien community, I am doing a calculation with SOC, and when I try to plot the band structure without SOC spaghetti -p -up it looks fine but when I put it with SOC spaghetti -p -up -so I get a bandstructure with many vertical lines Is there a way to fix it? (WIEN2k-19.1) Thanks Pablo =============== I sent a message with a bandstructure, and it was too big
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