two-electron integral

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
Posts: 1
Joined: 14 Jan 2014, 10:03
First name(s): shibin
Last name(s): chu
Affiliation: Lanzhou University
Country: China

two-electron integral

Post by epiphany » 14 Jan 2014, 10:11

Dear All,

How to store the two-electron integral into disk in DALTON?

Oh, I got the solution, DALTON can write down two-electron integral with the .FCIDUM option.


Post Reply

Who is online

Users browsing this forum: No registered users and 3 guests