[Wien] (no subject)

azar hadidi k_hadidi3x at yahoo.com
Thu Mar 13 09:30:57 CET 2008



  Dear Ph.
  I have created MgB2.Strauct several times and try to run them before deleting other files(while still other creations exist). Now although I have deleted all of them and just remain one in the name of MgB2-1, after performing initial.calc, during run-scf, this message is appeared: Error, Bad Header.
   I know that this program doesn't recognize different routes pertinent to special structure and I out to chosen just one correct route for it.
  Please guide me how to abolish previous wrong routes.
  Thanking you in anticipation.

       
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