ABINIT Discussion Forums

hello
Abinit Version : Version 7.10.5 of ABINIT

I am running a SCF run in Constrained DFT.
However, I am having issues with convergence.

The calculation is converged to the wrong state. it can be seen by checking the Mag which is around 0 instead of 1.

Also I am trying to reproduce Xavier Gonze's results on PRB paper : PHYSICAL REVIEW B 93, 155111 (2016)

Thanks for your help.

Dear ramanujan,
The output you sent does not correspond to what is in your input and this output is stoped before the magnetisation is printed.
Do you want to constrain the total magnetisation to be zero, as it is in your input or constrain it to Ce atom?
Best wishes,
Eric