[Wien] LOPW: plane wave exhausted error

Om Prakash Shukla op1111shukla at gmail.com
Mon Sep 9 11:56:18 CEST 2013


Dear sir,
i am a new user of wien2k and  and using wien2k 12 on ubuntu 12.04, with fort compiler 2011.3.174. The programs running for all the example .struct files but when i run it for my compound Y3Ru4Ge13 it gives the error like this.

 LAPW0 END
LOPW - Error

>   stop error

I am interested in calculating band structure and DOS as well as fermi surface. I am also attaching the structure file in the mail.
thanks
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