Without more information it is unlikely that anyone can help. How many k-pts, what RKMAX, did you check error files for lapw1, is it the struct you sent earlier?
--- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi On Nov 24, 2015 21:36, "Rajneesh Chaurasiya" <rajnano2...@gmail.com> wrote: > i have completed the init_lapw successfully but when i run_lapw then the > following error come in to existence. which i have shown through the > attached file. > so please help me what are the problem in my calculation > > On Tue, Nov 24, 2015 at 2:40 PM, Rajneesh Chaurasiya < > rajnano2...@gmail.com> wrote: > >> >> Dear Sir, >> >> currently i have started to work on the double perovskite material. so >> during initialization i faces some problem with dstart error whose >> case.struct file has been attached with this mail so please help me to >> solve this problem. >> >> > > > -- > Thanks & Regards > Rajneesh Chaurasiya > Junior Research Fellow > ABV-IIITM, Gwalior, India > Mob. No. +91-9584499697 > +91-8435727031 >
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