[Wien] [Wien2k Users] ENE Warning

潘登 panda.deng.pan at gmail.com
Wed Dec 16 15:21:29 CET 2009


The total energy changed from -56165.937 to -56165.959.

Is it the last total energy and the second last energy?If so,it seems the
total energy did not converge.May be you should do more SCF cycles.
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