[Wien] An error while performing SCF
pieper at ifp.tuwien.ac.at
Thu Apr 18 18:31:31 CEST 2013
you still is next to no information - I doubt anybody can help you.
One of the first things you should do is take a look into the dayfile (if
you use w2web its in the utilities menu).
Did you succeed with any calculations on your Lenovo laptop?
-->If no, try TiC, following the UG until it works.
-->If yes, did you succeed to run a SCF with that struct file? Maybe in a
fresh directory (new case)?
-->>If no, did you use w2web? At least for the setup? Were there any
errors/warnings during initialization?
-->>If yes, what did you change after the successful run?
I am a little suspicious about you mentioning 'lapw2c': Is this a complex
case (magnetic or without inversion)?
On Thu, 18 Apr 2013 23:51:18 +0800, Muhammad Sajjad <sajjadpu at gmail.com>
> Respected members
> Sorry, some text was missing in the first mail. Please read the
> I am using wien2k_12 version. I tried to perform an SCF for a transition
> metal doped CdTe for 25 percent doping concentration. My system is
> (laptop) core i5 with 4GB RAM.
> When SCF starts, it proceeds as
> Show STDOUT
> LAPW0 END
> LAPW1 END
> LAPW1 END
> After this, SCF runs for long time on *lapw2c. *
> *When *I checked the error file, then found an error " error in lapw2"
> Please help me to overcome this problem.
> True Regards
> M. Sajjad
Dr. Martin Pieper
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