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.
New & old charge density differ during scf
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leostorm10
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New & old charge density differ during scf
Last edited by leostorm10 on Mon Jun 13, 2011 2:48 pm, edited 1 time in total.
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support_vasp
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Re: New & old charge density differ during scf
Hi,
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