WebMO - Computational chemistry on the WWW
Recent news

WebMO 17.0 is now available for free download!

WebMO 17.0 Pro and Enterprise have a variety of additional features and is available for purchase.

The WebMO app is now available for iOS and Android.

April 7, 2020

Save .fchk file Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Running WebMO Jobs » View Molecular Orbitals » Save .fchk file « Previous Next »

Author Message
Kim Mulllane
Unregistered guest
Posted on Tuesday, July 18, 2017 - 5:32 pm:   

How do you save an .fchk file from a job? I know how to save a .chk file, but this isn't useful for visualizing MOs in programs like chem craft. Also, if I try to use Gaussian in PuTTY to formchk the .chk file I get a "Segmentation fault" error.
Posted on Wednesday, July 26, 2017 - 12:48 pm:   

1. Add the gaussian keyword "formcheck" to the route section
2. and use pop=(nbo,savenbos)
When the job finishes, download the job archive, expand it, and open the formatted checkpoint file Test.Fchk with your program. This works with GaussView 5.0 anyway.

Add Your Message Here
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration