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Core NanoLanguage elements |  |
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| runtimeParameters | twoCenterIntegralParameters |
Spin.Type — Used to distinguish between which part (Spin.Up, Spin.Down or both) that should be treated in a given calculation.
Spin.Up
(↑) and Spin.Down
(↓) are singleton values that take no options and return no values. Both
are used to specify the spin quantum number when performing analysis on
spin-polarized calculations.
Calculate the spin-up electron current:
from ATK.KohnSham import * scf = executeSelfConsistentCalculation(...) up_current = calculateCurrent(scf,spin = Spin.Up) down_current = calculateCurrent(scf,spin = Spin.Down)
Spin.Up and Spin.Down are
not used to assign values to spin. Instead, the spin unit hbar should be used. For
further details, see electronDensityParameters().
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| runtimeParameters |
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twoCenterIntegralParameters |