geo_opt_cp2k

anirban mondal anirbanbl... at gmail.com
Wed Nov 7 17:21:18 UTC 2012


Dear all,
            I am doing geometry optimization of a system containing 714
atoms. But each time the job is coming out at optimization step 2 without
any error. The same job is running when it is restarted. Can anybody
suggest something.

thanks in advance;
anirban
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