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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