CDFT fails with error message "CDFT: Unable to improve the multipliers"
Clicked A Few Times
9:30:10 PM PST - Fri, Jan 20th 2017
Hi NWChem folk,

I run constrained DFT with combining multiple fragment MOs guess files. Here is my input & output [1]. During CDFT calculation process, I got the error message CDFT: Unable to improve the multipliers'. I googled the solution but I found that nobody in NWChem forum has mentioned about this issue before. Please suggest me what caused this error and the way to overcome it.

Your help would be appreciated for me.

Thank you.
Rangsiman

Clicked A Few Times

Rangsiman
10:02:33 AM PST - Fri, Mar 9th 2018


Forum >> NWChem's corner >> General Topics