Index

_

__init__() (gauNEGF.scf.NEGF method) (gauNEGF.surfG1D.surfG method) (gauNEGF.surfGBethe.surfGBAt method)

A

aList (gauNEGF.surfG1D.surfG attribute)

aSList (gauNEGF.surfG1D.surfG attribute)

B

bisectFermi() (in module gauNEGF.density)

bList (gauNEGF.surfG1D.surfG attribute) bSList (gauNEGF.surfG1D.surfG attribute)

C

calcEmin() (in module gauNEGF.density) calcFermi() (gauNEGF.surfGBethe.surfGBAt method) (in module gauNEGF.density) calcFermiBisect() (in module gauNEGF.density) calcFermiMuller() (in module gauNEGF.density) calcFermiSecant() (in module gauNEGF.density) cohTrans() (in module gauNEGF.transport) cohTransE() (in module gauNEGF.transport)

cohTransSpin() (in module gauNEGF.transport) cohTransSpinE() (in module gauNEGF.transport) constructMat() (gauNEGF.surfGBethe.surfGB method) current() (in module gauNEGF.transport) currentE() (in module gauNEGF.transport) currentF() (in module gauNEGF.transport) currentSpin() (in module gauNEGF.transport) cVecs (gauNEGF.surfGBethe.surfGB attribute)

D

denFunc() (gauNEGF.surfG1D.surfG method) density() (in module gauNEGF.density) densityComplex() (in module gauNEGF.density) densityComplexN() (in module gauNEGF.density) densityGrid() (gauNEGF.surfG1D.surfG method) (in module gauNEGF.density) densityGridN() (in module gauNEGF.density)

densityGridTrap() (in module gauNEGF.density) densityReal() (in module gauNEGF.density) densityRealN() (in module gauNEGF.density) dirLists (gauNEGF.surfGBethe.surfGB attribute) DOS() (gauNEGF.surfGBethe.surfGBAt method) (in module gauNEGF.transport) DOSE() (in module gauNEGF.transport) DOSg() (in module gauNEGF.density)

E

Eprev (gauNEGF.surfGBethe.surfGBAt attribute)

F

F (gauNEGF.scf.NEGF attribute) (gauNEGF.surfG1D.surfG attribute) (gauNEGF.surfGBethe.surfGBAt attribute) fermi (gauNEGF.scf.NEGF attribute) (gauNEGF.surfGBethe.surfGBAt attribute)

fermi() (in module gauNEGF.density) FockToP() (gauNEGF.scf.NEGF method) (gauNEGF.scfE.NEGFE method) formSigma() (in module gauNEGF.matTools)

G

g() (gauNEGF.surfG1D.surfG method) gauNEGF.density module gauNEGF.matTools module gauNEGF.scf module gauNEGF.scfE module gauNEGF.surfG1D module gauNEGF.surfGBethe module gauNEGF.surfGTester module

gauNEGF.transport module genNeighbors() (gauNEGF.surfGBethe.surfGB method) getANTPoints() (in module gauNEGF.density) getDen() (in module gauNEGF.matTools) getEnergies() (in module gauNEGF.matTools) getFermi1DContact() (in module gauNEGF.density) getFermiContact() (in module gauNEGF.density) getFock() (in module gauNEGF.matTools) getHOMOLUMO() (gauNEGF.scf.NEGF method) getSigma() (gauNEGF.scf.NEGF method) (gauNEGF.scfE.NEGFE method) (gauNEGF.surfGBethe.surfGB method) gList (gauNEGF.surfGBethe.surfGB attribute) gPrev (gauNEGF.surfG1D.surfG attribute) Gr() (in module gauNEGF.density)

I

indsLists (gauNEGF.surfGBethe.surfGB attribute) integralCheck() (gauNEGF.scfE.NEGFE method) integralFit() (in module gauNEGF.density)

integralFitNEGF() (in module gauNEGF.density) integratePoints() (in module gauNEGF.density) integratePointsAdaptiveANT() (in module gauNEGF.density)

L

latVecs (gauNEGF.surfGBethe.surfGB attribute)

M

module gauNEGF.density gauNEGF.matTools gauNEGF.scf gauNEGF.scfE gauNEGF.surfG1D gauNEGF.surfGBethe gauNEGF.surfGTester gauNEGF.transport

N

NEGF (class in gauNEGF.scf) NEGFE (class in gauNEGF.scfE)

nelec (gauNEGF.scf.NEGF attribute) nIndLists (gauNEGF.surfGBethe.surfGB attribute) NN (gauNEGF.surfGBethe.surfGBAt attribute)

P

P (gauNEGF.scf.NEGF attribute) PMix() (gauNEGF.scf.NEGF method)

PToFock() (gauNEGF.scf.NEGF method) (gauNEGF.scfE.NEGFE method)

R

readBetheParams() (gauNEGF.surfGBethe.surfGB method)

runAllTests() (gauNEGF.surfGBethe.surfGB method) runDFT() (gauNEGF.scf.NEGF method)

S

S (gauNEGF.scf.NEGF attribute) (gauNEGF.surfG1D.surfG attribute) (gauNEGF.surfGBethe.surfGBAt attribute) saveMAT() (gauNEGF.scf.NEGF method) SCF() (gauNEGF.scf.NEGF method) setContact1D() (gauNEGF.scfE.NEGFE method) setContactBethe() (gauNEGF.scfE.NEGFE method) setContacts() (gauNEGF.scf.NEGF method) (gauNEGF.surfG1D.surfG method) setDen() (gauNEGF.scf.NEGF method) setF() (gauNEGF.surfG1D.surfG method) (gauNEGF.surfGBethe.surfGB method) (gauNEGF.surfGBethe.surfGBAt method) (gauNEGF.surfGTester.surfGTest method) setFock() (gauNEGF.scf.NEGF method) setIntegralLimits() (gauNEGF.scfE.NEGFE method) setSigma() (gauNEGF.scf.NEGF method) (gauNEGF.scfE.NEGFE method)

setVoltage() (gauNEGF.scf.NEGF method) (gauNEGF.scfE.NEGFE method) sigma() (gauNEGF.surfG1D.surfG method) (gauNEGF.surfGBethe.surfGB method) (gauNEGF.surfGBethe.surfGBAt method) (gauNEGF.surfGTester.surfGTest method) sigmaK() (gauNEGF.surfGBethe.surfGBAt method) sigmaKprev (gauNEGF.surfGBethe.surfGBAt attribute) sigmaTot() (gauNEGF.surfG1D.surfG method) (gauNEGF.surfGBethe.surfGB method) (gauNEGF.surfGBethe.surfGBAt method) (gauNEGF.surfGTester.surfGTest method) stauList (gauNEGF.surfG1D.surfG attribute) storeDen() (in module gauNEGF.matTools) surfG (class in gauNEGF.surfG1D) surfGB (class in gauNEGF.surfGBethe) surfGBAt (class in gauNEGF.surfGBethe) surfGTest (class in gauNEGF.surfGTester)

T

tauList (gauNEGF.surfG1D.surfG attribute) testDDInteraction() (gauNEGF.surfGBethe.surfGB method) testDOrbitalFunctions() (gauNEGF.surfGBethe.surfGB method)

testDOrbitalSymmetry() (gauNEGF.surfGBethe.surfGB method) testHoppingPhysics() (gauNEGF.surfGBethe.surfGB method) testPDInteraction() (gauNEGF.surfGBethe.surfGB method)

U

updateFermi() (gauNEGF.surfGBethe.surfGB method)

updateH() (gauNEGF.surfGBethe.surfGBAt method) updateN() (gauNEGF.scf.NEGF method)

W

writeChk() (gauNEGF.scf.NEGF method)

X

X (gauNEGF.surfG1D.surfG attribute)