Thank you for your responce. It happens at first iteration also When I choose the reduction to 5% then the file is executed successfully with the same parameters . Kindly suggest me what to do ?
Ragards Masood >________________________________ > From: "tran at theochem.tuwien.ac.at" <tran at theochem.tuwien.ac.at> >To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> >Sent: Thursday, May 10, 2012 9:52 PM >Subject: Re: [Wien] Error in Lapw1 using mBJ > >When does it occur? Directly at the 1st iteration or later? > >On Thu, 10 May 2012, Masood Yousaf wrote: > >> Dear Users >> >> I am having problem in executing a file with mBJ. Fallowing error comes in >> Lapw1. Kindly guide me how to correct this error >> >> Error in LAPW1 >> ?'SELECT' - no energy limits found for L= >> 0??????????????????????????????????? >> ?'SELECT' - E-bottom -200.00000?? E-top -200.00000??? >> >> Thank you all >> Masood >> >_______________________________________________ >Wien mailing list >Wien at zeus.theochem.tuwien.ac.at >http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120510/288c5cba/attachment.htm>