TCE - Problems with GA

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1:45:26 AM PDT - Thu, Mar 13th 2014
Thanks for answering. here you find the respective in- and outputs of my tests https://www.dropbox.com/s/nk08gbc1imp6rfu/IO-TCE-test_A_Kulesza.zip The normal TCE default-GA run works for the minimal example, but my available memory is not sufficient for my real problem. Its a 20 atom Fe-containing complex with TZVPP basis set Best Alex