[Wien] Extra vertical lines in bandstructure in spaghetti
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Feb 28 09:52:39 CET 2018
I've changed bz_lin.f in SRC_spaghetti and it seems to solve the
problem. Please try it.
Regards
On 02/23/2018 10:42 PM, Sergio Castillo Robles wrote:
> Hi, thank you for your response,
>
> I changed the data toler value from 1.d-07 to 1.d-05 by myself, and
> recompiled with ./siteconfig, R Compile/Recompile, S Select program,
> spaghetti
>
> but the problem still persist.
>
> Who should i send the files to?
>
> Thanks for your answer and your time
>
> Regards
>
>
> 2018-02-19 20:29 GMT-08:00 Gavin Abo <gsabo at crimson.ua.edu
> <mailto:gsabo at crimson.ua.edu>>:
>
> What did you change the data toler value to? The 1.d-07 [
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15787.html
> <https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15787.html>
> ] to 1.d-05 [
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16402.html
> <https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16402.html>
> ]?
>
>
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--
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at/TC_Blaha
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