[Wien] Error in Band gap calculation with mBJ

[qwef fwefwe]

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.
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[Wien] Error in Band gap calculation with mBJ

[Gavin Abo]

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.








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