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QuantumATK => General Questions and Answers => Topic started by: ATK-user-zuox on December 18, 2015, 04:57

Title: how to print out the default parameter in the .out file
Post by: ATK-user-zuox 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.

Title: Re: how to print out the default parameter in the .out file
Post by: zh 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()

Title: Re: how to print out the default parameter in the .out file
Post by: zhangguangping 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.

Title: Re: how to print out the default parameter in the .out file
Post by: Anders Blom 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.