"$eigensetting" 修訂間的差異

於 2024年9月22日 (日) 23:35 的最新修訂

$eigensetting is the command to tell program the the maximum eigen values obtained for electron and hole states.

Usage:

$eigensetting
@max_En @max_Ep

The program will only obtain the max_En of electron eigen values and @max_Ep hole eigen values.

For example:

 $solveeigenvalue
 $solveeigenbias
 2.00  4.00  3.00 7.00
 $eigensetting
 30  20 
  

In this case, only 30 electron eigen values and 20 hole eigen values are obtained.

The $eigensetting setting in GUI interface is here
Press Schrödinger Eigen Solver, check the box, and set the electron eigen values to 30 and the hole eigen values to 20 as needed!

The related commands are:

$solveeigenvalue, $solveeigenbias, $usefeast, $eigencalEl