Feature: mixing density and magnetism {mx,my,mz} separately for non-colinear calculation #3330
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Linked Issue
According to our roadmap for mixing method #3138
Fix #3285 for nspin=4
What's changed?
mixing_beta_mag
andmixing_gg0_mag
for nspin=4104_PW_NC_magnetic
Note:
104_PW_NC_magnetic
, old mixing method give the total energy-5.866175e+03
, while the new method can give a lower one-5.866197e+03
. This mean old method fails to find the lowest state.mixing_beta_mag
andmixing_gg0_mag
is changed in this PR. Before this PR, the default valuemixing_beta_mag=mixing_beta
,mixing_gg0_mag=mixing_gg0
. After this PR, the default valuemixing_beta_mag=4*mixing_beta
,mixing_gg0_mag=0.0
.