How to create .fchk files

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go back to Main Page, Computational Resources, GAUSSIAN, G09


To create .fchk files to be opened by GaussView and represent orbitals ... you will need the formchk utility to transform your .chk files into .fchk files (http://www.gaussian.com/g_tech/g_ur/u_formchk.htm).

To transform chk file to fchk:


In ICIQ clusters: For Kimik2; you need to add the following line in your .bashrc or .bash_profile

PATH=$PATH:/opt/G09/g09

save it, and execute ". .bashrc" or ". .bash_profile". For kimik, and G03 the corresponding lines is PATH=$PATH:usr/local/g03.C02/p03


In CESCA:

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