IPEAD: Difference between revisions

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{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}}
{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}}


Description:
Description: {{TAG|IPEAD}} specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. '''k''' in the ''PEAD'' approach.
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|&nabla;<sub>'''k'''</sub>u<sub>n'''k'''</sub>&rang; ({{TAG|LPEAD}}=.TRUE.), or
== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|LPEAD}},
{{TAG|LPEAD}},

Revision as of 18:02, 20 March 2011

IPEAD = 1 | 2 | 3 | 4
Default: IPEAD = 4 

Description: IPEAD specifies the order of the finite difference stencil used to compute the derivative of the cell-periodic part of the orbitals w.r.t. k in the PEAD approach.


|∇kunk⟩ (LPEAD=.TRUE.), or

Related Tags and Sections

LPEAD, LCALCEPS, EFIELD_PEAD, Berry phases and finite electric fields


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