TURBOMOLE Users Forum

TURBOMOLE Modules => Escf and Egrad => Topic started by: JohnZhou_case on April 18, 2022, 09:10:23 PM

Title: How to switch off the XC kernel?
Post by: JohnZhou_case on April 18, 2022, 09:10:23 PM
Hi there,
I run into a problem that I cannot find a solution in the manual.
In TDDFT, How to switch off the exchange-correlation kernel?
Like, A = diag(A) + (ia|jb) - a_x(ij|ab) + f_xc, and I want A = diag(A) + (ia|jb) - a_x(ij|ab).

Is there an easy way to do so?

thx!