[Wien] error in optimization

Muhammad Sajjad sajjadpu at gmail.com
Sun May 26 08:55:01 CEST 2013


Dear Wien2k Members

I am performing optimization of a ternary alloy. I used the values -5, 0
and 5. for the first two values, it runs quite well but occurs in the third
value and it is

*ERROR status in OPT1_vol___5.0
>   stop error

XCPOT3 - Error
in cycle 2    ETEST: 0   CTEST: 0
MIXER END
CORE  END
CORE  END
LAPW2 END
LAPW2 END
LAPW1 END
LAPW1 END
LAPW0 END*

One more information that I used the command *runsp_lapw -cc 0.00001
-in1new 2 -i 40* in edit optimize.job. Can someone please let me know why
this error appears and what is its solution?

Wit thanks in advance
M. Sajjad
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