[Wien] clmsum error!

Arin anin1996 at gmail.com
Sun Aug 20 11:08:28 CEST 2006


Dear wien2k users:

Recently we updated our version to wiek2k_06. However, for a TiC structure,
after run_lapw , an error occurred at the second iteration:
----------------------------------------------------------------------------------
FORTRAN STOP  LAPW0 END
FORTRAN STOP  LAPW1 END
FORTRAN STOP  LAPW2 END
FORTRAN STOP  CORE  END
FORTRAN STOP  MIXER END
ec cc and fc_conv 0 1 1
in cycle 2    ETEST: 0   CTEST: 0

Input/Output Error 148: Invalid character

   In Procedure: main program
        At Line: 472

      Statement: Formatted READ
           Unit: 8
   Connected To: TiC.clmsum
           Form: Formatted
         Access: Sequential
Records Read   : 2023
Records Written: 0

Current I/O Buffer:

       0    0
0????????????????????????????????????????????????????????????
                  !
End of diagnostics
-----------------------------------------------------------------------------------------

Then we checked the .clmsum file and found at line 2023, it is like this:
-----------------------------------------------------------------------------------------

        0    0
0????????????????????????????????????????????????????????????
      -1   -1
-1????????????????????????????????????????????????????????????
       0    0
-2????????????????????????????????????????????????????????????

-----------------------------------------------------------------------------------------

That maybe the problem. We have another computer which installed with
wien2k_05 and has no poblem, so we changed our version to 05 but the same
error occurred again.

We don't know how to fix this error, and I found there were many clmsum
errors in former maillist but they didn't help.

Anyone can give a suggestion? I appreciate your help.
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