Charge and Potential mixing related tags

amix_saves - Maximum number of atomic mixing residuals to save (used instead of mix_saves).

integer; 1 <= mix_saves <= 20; 5
mixer_mod; atomic_mixer_obj; amx%o%max_saves
default is used
Used only with mix_type = PULAY or ANDERSON

amix_type - Type of atomic mixing scheme to use (used instead of mix_type).

character; NONE, SIMPLE, PULAY, ANDERSON; PULAY
mixer_mod; atomic_mixer_obj; amx%o%mix_type
default is used

amix_weight - Proportion of the new atomic quantity to mix with the old atomic quantity (used instead of mix_weight_pf).

real number; 0 < amix_weight <= 1; 0.8 (SIMPLE), 0.8 (PULAY), 0.8 (ANDERSON)
mixer_mod; atomic_mixer_obj; amx%o%weight
default is used

mix_field - Quantity to be mixed.

character; DENSITY, POTENTIAL; DENSITY (NCP), POTENTIAL (PAW)
fields_mod; fields_obj; fd%o%mix_field
default is used

mix_type - Type of mixing scheme to use.

character; NONE, SIMPLE, PULAY, ANDERSON; PULAY
mixer_mod; field_mixer_obj and atomic_mixer_obj; fmx%o%mix_type and amx%o%mix_type
default is used

mix_weight_pf - Global proportion of the new quantity to mix with the old quantity.

real number; 0 < mix_weight_pf <= 1; 0.8 (SIMPLE), 0.8 (PULAY), 0.8 (ANDERSON)
mixer_mod; field_mixer_obj and atomic_mixer_obj; fmx%o%weight_pf and amx%o%weight
default is used

mix_weight_q - Wave-vector magnitude at which field mixing weight makes a transition from low to high.

real number; >= 0.0; 0.8 (SIMPLE), 0.8 (PULAY), 0.8 (ANDERSON)
mixer_mod; field_mixer_obj; fmx%o%weight_q
default is used
Used only with mix_weight_tp = KERKER.
For wave vector G, weight is mix_weight_pf/(1.0 + q²/G²)

mix_weight_tp - Determines the distribution of field mixing weights for different wave vector coefficients.

character; CONSTANT, KERKER; CONSTANT
mixer_mod; field_mixer_obj; fmx%o%weight_type
default is used
Used only with mix_type = SIMPLE, PULAY, or ANDERSON.
For mix_weight_tp = CONSTANT, weight is mix_weight_pf independent of wave vector.
For mix_weight_tp = KERKER, weight depends on wave vector according to mix_weight_q.

mix_metric_q - Wave-vector magnitude at which field mixing metric makes a transition from high to low.

real number; >= 0.0; 0.8 (PULAY), 0.8 (ANDERSON)
mixer_mod; field_mixer_obj; fmx%o%weight_q
default is used
Used only with mix_metric_tp = KERKER.
For wave vector G, weight is (1.0 + q²/G²)

mix_metric_tp - Weighting for the mixing field residuals.

character; UNITY, KERKER; UNITY
mixer_mod; field_mixer_obj; fmx%o%metric_type
default is used
Used only with mix_type = PULAY or ANDERSON
For mix_metric_tp = UNITY, weight is 1.0 independent of wave vector.
For mix_metric_tp = KERKER, weight depends on wave vector according to mix_metric_q.

mix_saves - Maximum number of mixing residuals to save.

integer; 1 <= mix_saves <= 20; 5 (fields_mixer_obj), 3 (atomic_mixer_obj)
mixer_mod; field_mixer_obj and atomic_mixer_obj; fmx%o%max_saves and amxmax_saves
default is used
Used only with mix_type = PULAY or ANDERSON

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