You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
If the geometry optimization is completed in one step, the parser receives an energy value that does not include dispersion energy (d3).
Here is an example of *.out file. ws2nt84_66.log
The text was updated successfully, but these errors were encountered:
If the geometry optimization is completed in one step, the parser receives an energy value that does not include dispersion energy (d3).
Here is an example of *.out file.
ws2nt84_66.log
The text was updated successfully, but these errors were encountered: