[Wien] (no subject)
sandeep arora
sndp.arora at rediffmail.com
Sat May 12 06:23:16 CEST 2018
That's due to nearest neighbour distance is less than the sum of rmt's in structure, so reduce them.
Sandeep Kumar
From: "Arvind Kumar"arvindkumar at arsd.du.ac.in
Sent:Sat, 12 May 2018 09:19:15 +0530
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] (no subject)
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 errorLAPW0 ENDhup: 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 KumarAssistant ProfessorDepartment of PhysicsAtma Ram Sanatan Dharma College(University of Delhi)Dhaula Kuan, New Delhi-110021 _______________________________________________
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