Opt
Description
Structure Opt contains the basic computational parameters used in EQuUs
Opt
| Fields | |
|---|---|
| Decimation | Option for using decimation. Type 1,2,3 or 4 to use it, 0 to not use it. (see more details at Decimation) |
| Decimation_block | The maximal number of the sites to be decimated at once. |
| NofLeads | Number of leads attached to the scattering region. |
| magnetic_field | Set true if a magnetic field is involved in the calculations, false otherwise. |
| Lattice_Type | Set 'S' or 'Square' for square lattice, 'H' or 'Graphene' for graphene lattice, 'Silicene' for Silicene, 'Bilyer_Graphene' for bilayer graphene, 'SSH' for SSH model.. |
| Simple_Green_Function | Set 1 if a simple analytical surface greens function computational method is about to be used, 0 otherwise (Only for square lattice without magnetic field). |
| Linear_Regression_in_B | Set 1 to use linear interpolation for the vector potential between the atomic sites to calculate the Peierls phases. Useful when dealing with a homogeneous magnetic field. |
| BdG | Set 1 for superconducting systems, 0 (default) for normal systems |
| Silent | Set 1 in order to mute the output messages. |
| usingDualModes | Set 1 to use dual modes in the calculations, or 0 to use the left and right sided eigenvectors instead. |
| debug | Set 1 to export debug informations into the debug.txt file, or 0 otherwise. |
| workers | Number of workers in the parallel pool. |
| custom_Hamiltonians | Set 'siesta' to import Hamiltonians from Siesta, 'custom' to use custom defined Hamiltonians. |
| Spin | Set 1 to use spin degree of freedom in the Hamiltonians, or 0 otherwise. |
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