This error can result if *case.klist_band* is empty. Did you create *case.klist_band* before executing *x lapw1 -band*?
(If you used *from xcrysden* from the w2web list, it requires that the file saved using *Generate k-mesh using XCrysden* have the filename *xcrysden.klist* in the *case* directory) On 5/6/2012 6:18 AM, qwef fwefwe wrote: > Respected Prof. Mark and Wien2k users > > In my calculations mBJ-GGA was successfully executed after that I get > this error in first step of band gap calulation i,e.*x lapw1 -band * > > Error in LAPW1 > 'INILPW' - Invalid k-point file on unit 4 > 'LAPW1' - INILPW aborted unsuccessfully. > > Thank You so much for your previous guidance. > > > > > > > > > _______________________________________________ > 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/20120506/d3faa312/attachment.htm>