Regarding the LOPW error, you might try increasing the RKmax value (in
case.in1[c]) [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13902.html
, http://susi.theochem.tuwien.ac.at/reg_user/faq/rkmax.html ].
On 5/11/2018 9:49 PM, Arvind Kumar wrote:
Dear Prof. Blaha and Wien2k users,
I am trying to run scf on DyInZn and other related
compounds but it shows error during run scf
*> stop error
*
*
*
*LOPW error*
*LAPW0 END*
*hup: Command not found*
I am running these calculation by Wien2k 16.1 version compiled in HP
laptop having 8GB RAM and 1 TB harddisk with mkl library with ifort+
icc compiler.
thanks & regards,
Dr. Arvind Kumar
--
Dr. Arvind Kumar
Assistant Professor
Department of Physics
Atma Ram Sanatan Dharma College
(University of Delhi)
Dhaula Kuan, New Delhi-110021
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