Index

_

__init__() (gauNEGF.scf.NEGF method) (gauNEGF.surfG1D.surfG method) (gauNEGF.surfGBethe.surfGBAt method) (gauNEGF.surfGTester.surfGTest method) (gauNEGF.transport.SigmaCalculator 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) calcFermiPolyFit() (in module gauNEGF.density) calcFermiSecant() (in module gauNEGF.density) calculate_current() (in module gauNEGF.transport) calculate_dos() (in module gauNEGF.transport) calculate_transmission() (in module gauNEGF.transport)

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

density() (in module gauNEGF.density) densityComplex() (in module gauNEGF.density) densityComplexN() (in module gauNEGF.density) densityGrid() (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) dos_single_energy() (in module gauNEGF.transport) DOSE() (in module gauNEGF.transport)

E

Eprev (gauNEGF.surfGBethe.surfGBAt attribute)

F

F (gauNEGF.scf.NEGF attribute) (gauNEGF.surfG1D.surfG attribute) (gauNEGF.surfGBethe.surfGBAt attribute) (gauNEGF.surfGTester.surfGTest 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.integrate 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) get_gamma() (gauNEGF.transport.SigmaCalculator method) get_sigma() (gauNEGF.transport.SigmaCalculator method) get_sigma_total() (gauNEGF.transport.SigmaCalculator 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) GrInt() (in module gauNEGF.integrate) GrLessInt() (in module gauNEGF.integrate)

I

indsList (gauNEGF.surfGTester.surfGTest attribute) 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.integrate gauNEGF.matTools gauNEGF.scf gauNEGF.scfE gauNEGF.surfG1D gauNEGF.surfGBethe gauNEGF.surfGTester gauNEGF.transport

N

N (gauNEGF.surfGTester.surfGTest attribute) 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) (gauNEGF.surfGTester.surfGTest 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) sig (gauNEGF.surfGTester.surfGTest attribute) sigma() (gauNEGF.surfG1D.surfG method) (gauNEGF.surfGBethe.surfGB method) (gauNEGF.surfGBethe.surfGBAt method) (gauNEGF.surfGTester.surfGTest method) SigmaCalculator (class in gauNEGF.transport) 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) transmission_single_energy() (in module gauNEGF.transport)

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) (gauNEGF.surfGTester.surfGTest attribute)