[Columbus] MCSCF Frequency Calculation

Greg Donne donne.greg7 at gmail.com
Sat Mar 25 16:57:37 EDT 2017


Dear Columbers,

I am trying to perform a frequency calculation. I generated the offset
files using colinp and then I used the disp.pl script to perform the
calculation.

After that, I get the following error message:


Cp: can not stat
`/home/donne/2_CASSCF/2_freq/DISPLACEMENT/CALC.c7.d-0.001/WORK/fort.12
': No file or directory
Cp: unable to stat
`/home/donne/2_CASSCF/2_OPTG/2_freq/DISPLACEMENT/CALC.c7.d-0.001/WORK/fort.27
': No file or directory
Cp: can not stat
`/home/donne/2_CASSCF/2_freq/DISPLACEMENT/CALC.c7.d-0.001/WORK/fort.29
': No file or directory


I have not received any output files with regard to frequency
calculation in my main LIST and WORK directories, nor in the specific
/CALC.c7.d-0.001/WORK and / LISTINGS.

Does anyone have any idea on why I'm getting this error at this
particular displacement and how I could overcome this problem?

Best regards,
Greg.


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