檢視 $negferrortolerance 的原始碼

$negferrortolerance is the command to setup the tolerance for the program to get converged. And the second term is the amplitude of the virtual wave.
The virtual wave means that there is no electron wave before the system scattering, but the wave function can not be zero in the equation,  so we give a virtual wave to load the scattering wave and complete the calculation. After subtracting the value of the virtual wave, the correct wave function value can be obtained. You can also use this function and set the parameter with our GUI version at the input box of "Error Tol" in GUI<br>

  $negferrortolerance
  error_tolerance   virtual_amplitude

Example:
  $negferrortolerance
  1.0e-6 1.0e27
related commands:
  [[$ifsolvenegf]]