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User's manual of OpenMX
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Optical conductivity
Contents
Index
Electric transport calculations
Subsections
General
Step 1: The calculations for leads
Step 2: The NEGF calculation
Step 3: The transmission, current (density, and eigenchannel)
Transmission, total current, and conductance
Real-space charge/spin current density
Eigenchannel analysis
Running again the step 3 only
Periodic system under zero bias
Interpolation of the effect by the bias voltage
Parallelization of NEGF
NEGF method for the non-collinear DFT
Examples
Automatic running test of NEGF
2016-04-03
