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New & old charge density differ during scf

Posted: Mon Jun 13, 2011 2:48 pm
by leostorm10
Dear vasp users, I am doing an spin-polarised self-consistent calculation of a pyrochlore compound. But during scf run I am getting a serious WARNING in out.log file and is

RMM: 84 -0.151331157615E+03 -0.42875E-01 -0.31871E-03 6662 0.173E-01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 148.00358 new 147.99998
0.676E+00

It is not only for one iteration but for many iterations. After all I am getting the correct moment. But I donot understand The Warning. Could anyone suggest me please how to solve this problem. Thanks.

Re: New & old charge density differ during scf

Posted: Thu Sep 12, 2024 8:15 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP