[Wien] lapw1 -c

[Chandrika]

Your RMT*Kmax looks too small and number of k points is too many for a supercell (normally 1-2 would do).
Hope this helps.
Chandrika
  ----- Original Message ----- 
  From: tomi zaya 
  To: wien at zeus.theochem.tuwien.ac.at 
  Sent: Thursday, April 26, 2007 2:56 PM
  Subject: [Wien] lapw1 -c


  Dear users,
  in the first SCF cycle an error occurre more and more,please help me to fix this error:
  error: command /usr/Wien/lapw1c lapw1.def    failed
  > stop error
   i'm using supercell approximation with 80 atoms.
  Rmt*Kmax=3.5
  number of k points=100

  best regards.






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