How to restart the Gaussian job( G03) which is incomplited. Look up: '%Chk=file.chk guess=read geom=checkpoint' in the online-manual. Not every job can be restarted, though.
The needed commands to place in the stdin file to read in a Gaussian checkpoint file appear below.
As usual, the name of the job nh2cn appears first after the opening brace:
Next, the command read_g94_fchk_file which does the job.
It is followed by the name of the Gaussian checkpoint file nh2cn_b3lyp.fchk to be read in
- The read_g94_fchk_file command is supposed to work for the g94 program.
- Use read_g98_fchk_file for the g98 program
- Use read_g03_fchk_file for the g03 program
- Use read_g09_fchk_file for the g09 program
- NOTE: the fchk checkpoint file made using the formchk program; give it the name you want.
To check if your fchk file was read in properly, use the put command (third line).
It print the coordinates and the basis set, but not the orbitals or density matrix if these were read in.
Exchange Checkpoint File
Finally, don't forget the closing brace.
Checkpoint File
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