Error in Geometry Optimization

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Forum Vet

10:18:25 AM PDT - Tue, Jul 12th 2016

Memory line at the beginning of input file

Natalia
Please put the following memory line at the beginning of the input file.

memory 3200 mb

In other words, the beginning of your input file should be like this


start Si35F36

memory 3200 mb

 geometry units angstroms print xyz
   symmetry Td
Si  0.000000000  5.430000000 -0.000000000
...