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How to create .fchk files
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==To be able to use the utility:== '''In ICIQ clusters:''' For Kimik2; you need to add the following line in your .bashrc or .bash_profile: PATH=$PATH:/opt/G09/g09 save it, and execute ". .bashrc" or ". .bash_profile". For kimik, and G03 the corresponding line is PATH=$PATH:usr/local/g03.C02/g03 '''In CESCA:''' You have to be in your directory in /cescascratch/ and check in which machine the job has been computed (hint: take a look at the end of the file) then connect to this particular machine (cadi...) and you have to write the following: module avail module load gaussian/g03c2
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