[Wien] Update to win2k_03
Yang, Jinbo
jinbo at umr.edu
Mon Feb 16 21:14:13 CET 2004
Dear Wien users
I updated the software from Wien2k to Wien2k_03 version. After installation, I did 100xatomfix_lapw to convert the old files. However, When I try to continue my calculation with the converted file, I always got stopped after Lapw2. I continue it because I did not finish the some of calculations with old version Wien2k, and also I want to get all data and plots from other old calculations use Wien2k_03. DO I need to recalculate them again with Wien2k_03(too much time)?.
When I run : runsp_lapw -I -i 5 -fc 0.5, I got followed message
Fortran stop LAPW0 END
Fortran stop LAPW1 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. ITERNATION
end of Diagnostics
By the way, when I calculated with a new system from the scratch, I had no such probelm.
I will be very appreciated if you can give me some advice.
Thank you so much
sincerely
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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