[Wien] Error while running SCF

[Peter Blaha]

Your installation is not ok. The message told you, that the program 
lapw0 was not found. It should be created during installation.
During compilation with siteconfig, you should have gotten a list of 
errors. You cannot ignore them ....

Most likely it has to do with the fftw  library (lapw0, lapw2).

Am 25.08.2023 um 10:31 schrieb Abhishek Bhattacharjee:
> Dear WIEN2k experts,
> I am new to WIEN2k code, I am trying to run simple SCF of TiC from 
> example from tutorials. I have installed WIEN2K and I was able to create 
> and visualize the structure of TiC. However when I try to Do SCF 
> Following error message shows up:
> ------------------------------------------
> /home/edft/softwares/WEIN2k_install/lapw0: Command not found.
> grep: *scf1*: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw2*.error: No such file or directory
> grep: lapw1*.error: No such file or directory
> grep: lapw1*.error: No such file or directory
>  >   stop error
> ------------------------------------------
> I tried re-installing WIEN2k with both ifort and gcc compilers. In both 
> cases this error message persists.
> Kindly help me with your suggestion.
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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