[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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