Re: [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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--
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.bl...@tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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[Wien] .clmsum file question

[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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Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html