[Wien] An error while performing SCF

[pieper]

Dear Sajjad,

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)?

Best luck,

Martin Pieper

On Thu, 18 Apr 2013 23:51:18 +0800, Muhammad Sajjad <sajjadpu at gmail.com>
wrote:
> Respected members
> 
> Sorry, some text was missing in the first mail. Please read the
following
> now.
> 
> 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
Lenovo
> (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
Karl-Franzens University
Experimentalphysik
Universitätsplatz 5
A-8010 Graz
Austria
Tel. +43-316-380-8564