|Posted on Wednesday, October 16, 2019 - 9:38 am: |
Where are the other files output by ORCA running alone?
With the only outputX.txt raw file exported from Raw output WebMO page I can't generate vibrational modes files with ORCA_pltvib utility.
ORCAD 4.2.0 on macOS 10.3.6
|Posted on Tuesday, October 22, 2019 - 8:16 am: |
Is there anyone who can answer my question on this forum?
Post Number: 657
|Posted on Tuesday, October 22, 2019 - 11:30 am: |
You should be able to obtain the output files by downloading them via the Job Manager. Select the job and click Download. The resulting archive can be untarred / unzipped to extract other output files.
|Posted on Monday, October 28, 2019 - 9:27 am: |
Thanks for your answer but there is no filename.hess file in the untarred archive.
Post Number: 659
|Posted on Monday, October 28, 2019 - 10:57 am: |
This are currently saved in the scratch directory and deleted shortly after the job finishes, since some of these files are quite large.
Which of the above files are generally useful / required for post processing the the ORCA tools? I can tweak a future version to save those (and only those!)
|Posted on Tuesday, October 29, 2019 - 9:42 am: |
In my case I need filename.hess and process it with ORCA orca_pltvib command so as to get vibrational modes.