Parameters for calculating postSelfConsistencyField¶

Nanodcal allows users to add terms to the Hamiltonian after the SCF iteration is completed.

calculation.PSCF.type¶

key word	:	calculation.PSCF.type
possible values	:	magneticField
default value	:	no default value
description	:	This parameter indicates the type of the
		post-self-consistency field.

		when PSCF.type = magneticField, the self-consistent
		field (hamiltonian matrix) will be modified by an
		applied external magnetic field.
an example	:	calculation.PSCF.type = magneticField

key word	:	calculation.PSCF.magneticField.B
possible values	:	a 3\(\times\)1 double vector, followed by an unit string
default value	:	no default value, must be given when PSCF.type = magneticField
description	:	used only when PSCF.type = magneticField.
		This parameter defines the applied external magnetic
		field. The unit string may be one of the following:
		T, T., Tesla, tesla;
		G, G., Gauss, gauss;
		au, a.u., atomic unit;
		where the T, T., Tesla, and tesla are for the
		unit of Tesla, G, G., Gauss, and gauss are for
		the unit of Gauss, au, a.u., and atomic unit are
		for the atomic unit.

		If there is no unit string, the unit Tesla is used.

		Note that:
		1 Gauss = 1e-4 Tesla
		and in this code atomic unit is defined as
		1 a.u. = 2.3505173530e+05 Tesla
an example	:	calculation.PSCF.magneticField.B = [2 3 4]