[Wien] Error in Band gap calculation with mBJ

qwef fwefwe wonder25w at yahoo.com
Sun May 6 13:18:55 CEST 2012


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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120506/3e52b096/attachment.htm>


More information about the Wien mailing list