Author Topic: how to print out the default parameter in the .out file  (Read 3277 times)

0 Members and 1 Guest are viewing this topic.

Offline ATK-user-zuox

  • Heavy QuantumATK user
  • ***
  • Posts: 26
  • Country: cn
  • Reputation: 1
    • View Profile
how to print out the default parameter in the .out file
« on: December 18, 2015, 04:57 »
Hello,i am eager to know the default Double Contour Integral Parameters ,ie .fermi_ function_poles 、circle_points, and fermi_line_points.but i am not farmiliar with the python language.Can anyone tell me what code should i use in .py to print out it.

Offline zh

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1141
  • Reputation: 24
    • View Profile
Re: how to print out the default parameter in the .out file
« Reply #1 on: December 18, 2015, 05:30 »
Please read the manual:
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.doublecontourintegralparameters.html

For a DoubleContourIntegralParameters object, there are several methods available to get the values of parameters.

For example:
contour_parameters = DoubleContourIntegralParameters(
    integral_lower_bound = 5.*Hartree,
    circle_points = 30,
    real_axis_point_density = 0.002*eV,
    real_axis_infinitesimal=1e-05*eV
    )

print   contour_parameters.fermiLinePoints()
print contour_parameters.fermiFunctionPoles()

Offline zhangguangping

  • QuantumATK Guru
  • ****
  • Posts: 193
  • Country: cn
  • Reputation: 2
    • View Profile
Re: how to print out the default parameter in the .out file
« Reply #2 on: December 22, 2015, 08:53 »
Dear Zh,

Thanks for your answering this question.
It is amazing that there is difference between the html version and pdf version manuals. It was thought they are the very same.

http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/ReferenceManual.pdf
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.doublecontourintegralparameters.html

There is no default values in the pdf version manual.


With best regards.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: how to print out the default parameter in the .out file
« Reply #3 on: December 22, 2015, 17:10 »
I had actually never noticed that! Thanks for pointing it out. I never use the PDF version, always the HTML :)
Note that the HTML version of the manual is included with the package, in the "doc" directory, and can be accessed directly from the Help menu in VNL.