PEECM calculations

Started by helali, November 16, 2015, 01:43:19 PM

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helali

Hello I have just started using Turbomole so please can you help me even if my questions look silly  :-[   :'(. I need to know how to find the coordinate of my cluster im the $embed part and those for my QM in the $coord part. I already the coordinates of my periodic cell in $embed/cell

Thank you !