[Wien] An error while performing SCF

Muhammad Sajjad sajjadpu at gmail.com
Thu Apr 18 17:51:18 CEST 2013


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
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