Hello, Without knowing more about your system, it is difficult to help you.
At first sight, it seems you have set a very (very!) high magnetic moment
(50.4). Is it correct?
What is the ‘vresp’ variable? Should not it be the case.vresp file?
Best,
Pascal
> Le 3 nov. 2022 à 08:12, Dr. KISHOR KUMAR डॉ. किशोर कुमार <kksut...@live.com>
> a écrit :
>
> Dear Wien2k developers,
>
> I have encountered an error during fixed spin moment calculation in WIEN2k
> (version 21) as mentioned below:
> [2] Done ( cd $PWD; $t $exe ${def}_$loop.def; rm
> -f .lock_$lockfile[$p] ) >> .time1_$loop
> LAPW0 END
> LAPW0 END
> LAPW1 END
> [2] Done ( cd $PWD; $t $exe ${def}_$loop.def; rm
> -f .lock_$lockfile[$p] ) >> .time1_$loop
> LAPW1 END
> LAPW1 END
> LAPW1 END
> LAPW1 END
> [5] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm
> -f .lock_$lockfile[$p] ) >> .time1_$loop
> [4] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm
> -f .lock_$lockfile[$p] ) >> .time1_$loop
> [3] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm
> -f .lock_$lockfile[$p] ) >> .time1_$loop
> [1] + Done ( cd $PWD; $t $exe ${def}_$loop.def; rm
> -f .lock_$lockfile[$p] ) >> .time1_$loop
> vresp: Undefined variable.
>
> ======
> command to run fsm calculation is given as
>
> runfsm_lapw -m 50.4 -p -ec 0.0001 -i 100
>
> There is no error when I run normal spin polarized calculation with
> runsp_lapw script.
>
> Please help me out from this error.
>
> Regards,
>
> Dr. KISHOR KUMAR/डॉ. किशोर कुमार
> Department of Physics/भौतिक विज्ञान विभाग
> Mohanlal Sukhadia University, Udaipur 313001
> मोहनलाल सुखाड़िया विश्वविद्यालय, उदयपुर 313001
> Rajasthan, India | Mob. No. +91-8003180325
> राजस्थान, भारत | मो. न. +91-8003180325
>
> _______________________________________________
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> SEARCH the MAILING-LIST at:
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Pascal Boulet
—
Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY
University of Aix-Marseille - Avenue Escadrille Normandie Niemen - F-13013
Marseille - FRANCE
Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Email : pascal.bou...@univ-amu.fr <mailto:pascal.bou...@univ-amu.fr>
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