|Posted on Monday, October 16, 2017 - 3:47 am: |
It seems that WebMO is not correctly displaying the ED or ESP surfaces calculated by NWChem with various DFT methods. Surfaces from Gaussian and GAMESS jobs are displayed correctly. See jobs 333575 through 333579 on the demo server.
Post Number: 567
|Posted on Monday, October 16, 2017 - 9:44 am: |
I just looked at these same jobs on the demo server and they work fine for me (both ED and ESP). Can you elaborate?
|Posted on Monday, October 16, 2017 - 12:44 pm: |
Thanks for looking at this. See the attached PDF
|Posted on Wednesday, November 15, 2017 - 2:26 am: |
All, JR Schmidt provided a solution for this. If this is an issue for you, contact me for the code. You can get my email address, and test this solution, by visiting https://chem2.uaf.edu/facilities/WebMO/ . For directions on how to log on as guest, go down the page to "How to log on and do a small NWChem job".