[Wien] regarding wien2k initialization issue

Peter Blaha peter.blaha at tuwien.ac.at
Thu May 25 09:02:34 CEST 2023


This is perfectly ok and the new default behaviour in version 23.2

Please read the UG or look at the changes for wien2k_23 (update section 
on our web site.

init_lapw -h  will tell you how to switch to the old behaviour, but this 
is NOT the recommended way. Instead you can select your desired "precision".


Am 25.05.2023 um 08:56 schrieb Burhan Ahmed:
>
> Dear Sir,
>
> I am running wien2k_23.2 on a i7 machine having 8 cores with ubuntu as 
> OS along with intel oneapi compiler.
>
> I have successfully installed wien2k_23.2 without LIBXC and it is 
> running smoothly in the user interface of browser. But whenever I try 
> to start the initialization using terminal with the command 
> “init_lapw” , it takes all the default parameters very quickly and 
> finished the initialization but did not ask for any change in the 
> parameters like number of k-points, etc. I don’t know is there any 
> installation issue. Please help me in this regard.
>
> Thanks in advance.
>
> Regards
>
> Burhan Ahmed
>
> *Research Scholar, AUS *
>
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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