Can anybody share methods to apply an external Electric field in ORCA? thanks!


From the ORCA forum thread:

Actually there is an undocumented feature for this purpose:

   efield X-field-strength-in-a.u. , Y-field-strength-in-a.u. , Z-field-strength-in-a.u.

I have used it to compare dipole moments obtained via numeric and analytic differentiation and it worked fine. But do be careful as undocumented features do not officially exist (although in this case it might have just been overlooked in the manual)

I searched the manual, but didn't find any mention about how to add it.


Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.