Spinors's Parameter File |
Optional key-block and parameters with default values: [Mixing]
[Mixing]
mixscheme
(string)
"Kerker"
or"Pulay"
default: Kerker
a_mix
(double)
mixing parameter
default: 0.4
Pulay and Kerker q0_mix
(double)
mixing parameter
default: 1.5
Pulay and Kerker q1_mix
(double)
mixing parameter
default: n/a
Pulay only