[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
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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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