[Wien] .clmsum file question

[Peter Blaha]

Not much information.

TiC.clmsum should have been created in the   dstart  step of the 
initialization.

Are you sure the compilation (siteconfig) worked properly without errors 
at the end ?
A typical problem would be an error with the   fftw  libraries.

Can you run in a terminal   in the TiC directory:   x dstart   ???

Am 30.01.2024 um 20:53 schrieb Douglas Barlow via Wien:
> Hello, I recently installed and compiled WIEN2k 23.2 for Linux , Ubuntu. 
> I am trying to run the example "TiC" from the WIEN2k book using w2web. I 
> go through the outlined steps but SCF calculations fail.
> 
> The SCF calculation fails with the error:   cp: cannot stat 'TiC.clmsum' 
> No such file or directory.
> 
> Thanks for any help.
> Doug Barlow
> 
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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
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