Magnetic moments are zero in OSZICAR

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
vahid_askarpour
Newbie
Newbie
Posts: 23
Joined: Tue Jan 31, 2023 3:11 pm

Magnetic moments are zero in OSZICAR

#1 Post by vahid_askarpour » Fri Oct 06, 2023 5:26 pm

Dear VASP community,

I am running constrained magnetization by slowly increasing LAMBDA from 0.5 to 100 or more. For each run, I use the CHGCAR of the previous run (with lower LAMBDA). However, the moments are zero in the OSZICAR and E_p does not decrease. I have attached the files. Does anyone know what might be the problem?

Thank you,
Vahid
You do not have the required permissions to view the files attached to this post.

vahid_askarpour
Newbie
Newbie
Posts: 23
Joined: Tue Jan 31, 2023 3:11 pm

Re: Magnetic moments are zero in OSZICAR

#2 Post by vahid_askarpour » Fri Oct 06, 2023 6:54 pm

I just realized that for constrained magnetization, RWIGS are not read from the POTCAR and need to be explicitly stated in INCAR. That is why in the OUTCAR, RWIGS=-1.

Now I do have nonzero moments in the OSZICAR.

Cheers,
Vahid

Post Reply