[Wien] running error after using 100atomfix_lapw

Yang, Jinbo jinbo at umr.edu
Thu Jul 29 00:34:21 CEST 2004


Dear users

I upgraded Wien2k_02 to Wien2k_03 by using 100atomfix_lapw according FAQ. 

However, when I run the SCF cycle again, I got an error as followed. How can I fix this problem?  Any suggestion is welcome. Thank you so much.
 
runsp_lapw -I -i 5 -fc 0.5

FORTRAN STOP  LAPW0 END
FORTRAN STOP  LAPW1 END
FORTRAN STOP  LAPW1 END
FORTRAN STOP  LAPW2 END
FORTRAN STOP  LAPW2 END
FORTRAN STOP  CORE  END
FORTRAN STOP  CORE  END


Input/Output Error 148: Invalid character

   In Procedure: scfana
        At Line: 99

      Statement: Formatted READ
           Unit: Internal File
  Record Number: 1

Current I/O Buffer:

:ITE01:  1. ITERATION                                                          


Best regard


Jinbo Yang
Materials Research Center 
University of Missouri-Rolla
Rolla, MO 65401
USA
Phone: +01-573341-6165
Fax:  +01-573-341-2071
E-mail: jinbo at umr.edu
 





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