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qcl:input_file [2018/10/09 09:44]
thomas.grange [Simulation parameters]
qcl:input_file [2018/10/09 09:49] (current)
thomas.grange [Simulation parameters]
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: 2018/10/09 09:49 by thomas.grange