[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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