calculation of diagonal Born-Oppenheimer correction term

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)
Post Reply
mehboob.cu
Posts: 26
Joined: 11 Nov 2013, 03:14
First name(s): Md. Mehboob
Last name(s): Alam
Affiliation: Universite de Strasbourg
Country: India

calculation of diagonal Born-Oppenheimer correction term

Post by mehboob.cu » 23 May 2014, 09:28

Dear Dalton users,

Is it possible to calculate the diagonal Born-Oppenheimer Correction in DALTON? Although I could not find anything in the manual but still If it is possible, then kindly suggest me the correct keyword.

With best regards,
Mehboob
Top
Post Reply

Return to “Running Dalton”

Who is online

Users browsing this forum: No registered users and 5 guests