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qcl:input_file
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qcl:input_file [2018/10/09 09:43] thomas.grange [Lateral motion in the directions perpendicular to the transport] |
qcl:input_file [2018/10/09 09:49] thomas.grange [Simulation parameters] |
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| It holds for higher temperatures: More broadening, i.e. less energy grid points are sufficient. | It holds for higher temperatures: More broadening, i.e. less energy grid points are sufficient. | ||
| <code> | <code> | ||
| - | <Energy_grid_spacing unit="meV"> 10 </Energy_grid_spacing> | + | <Energy_grid_spacing unit="meV"> 2 </Energy_grid_spacing> |
| </code> | </code> | ||
| Line 557: | Line 557: | ||
| The self-consistent loop ends successfully if the following 2 convergence factors are reached for the lesser Green's function (GF) and the current (relative difference between two consecutive iterations). | The self-consistent loop ends successfully if the following 2 convergence factors are reached for the lesser Green's function (GF) and the current (relative difference between two consecutive iterations). | ||
| <code> | <code> | ||
| - | <Convergence_Value_GF> 0.0005 </Convergence_Value_GF> | + | <Convergence_Value_GF> 1e-4 </Convergence_Value_GF> |
| - | <Convergence_Value_Current> 0.0005 </Convergence_Value_Current> | + | <Convergence_Value_Current> 1e-4 </Convergence_Value_Current> |
| </code> | </code> | ||
| + | |||
| + | A number of maximum iterations is specified in case the above convergence values are not reached. | ||
| <code> | <code> | ||
| - | <N_max_iterations> 400 </N_max_iterations> | + | <N_max_iterations> 300 </N_max_iterations> |
| </code> | </code> | ||
| - | Number of maximum iterations if the above convergence values are not reached. | + | |
| - | Higher values give more accurate results. | + | Small values for the convergence values, together with sufficiently large value for the maximum number of iteration, will give the more accurate results. |
| - | <code> | + | |
| - | <Convergence_Minimum> 0.01 </Convergence_Minimum> | + | |
| - | </code> | + | |
| - | Minimum convergence factor for the Green's function to be considered as a valid result (if ''N_max_iterations'' is reached without satisfying ''Convergence_Value_GF''). | + | |
| - | Above the output for the current will be -1. | + | |
| The number of threads used during the simulation can be limited by the following input. | The number of threads used during the simulation can be limited by the following input. | ||
| - | For an automatic setting, use 0. | + | For an automatic setting, use 0 or do not specify this command. |
| <code> | <code> | ||
| - | <Maximum_Number_of_Threads>7</Maximum_Number_of_Threads> | + | <Maximum_Number_of_Threads>8</Maximum_Number_of_Threads> |
| </code> | </code> | ||
qcl/input_file.txt · Last modified: 2023/01/05 10:07 by thomas.grange
