[Wien] [SPAM?] question of dstart

孙立忠 lzsun at mail.sitp.ac.cn
Sat Nov 8 14:46:23 CET 2003


dear wien2k user:
   i am calculating of a 16 atoms cluster of GaAs. the super cell i have chosen as p1 and lattice constant is 20 angstroms and put that 16 atoms cluster in the center of the super cell.
when i run x dstart -c it consum so much time say 24 hours. but the gaas.clmsum file have some thing wrong likes below:
      NUMBER OF PW******
then run lapw0 it crshed and show below information:

Input/Output Error 148: Invalid character

   In Procedure: main program
        At Line: 394

      Statement: Formatted READ
           Unit: 8
   Connected To: gaas.clmsum
           Form: Formatted
         Access: Sequential
Records Read   : 156934
Records Written: 0

Current I/O Buffer:

 NUMBER OF PW******
             !
End of diagnostics

how can i deal with this ? any suggestion is welcome!
L.Z. Sun




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