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
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*
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