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1
Questions and Answers / InSe K point
« Last post by Sam Rice on Today at 20:49 »
Dear all,
I tried to create 3*3 InSe nanosheet(unitcell is attached ), but when I put the structure for relaxation, I need a lot of time (more than 8hours),  I changed K and  I realized that the main reason is K(reduced until 5 hours), but unfortunately I could not find the suitable k for this structure.please help me, I attached my structure
2
General Questions / Re: 2017.1 Error on AnalysisBar Add-on
« Last post by Max on Today at 14:43 »
OK! I have sent it.
3
Hello,

in order to get a demo/trial license for ATK please fill in this online form: https://quantumwise.com/free-trial/trial-license-form
We will then review your submission and get back to you as soon as possible.

Thanks,
Umberto
4
You may take a look at this paper, https://www.nature.com/articles/srep22672, on the unit cell structure of penta-graphene.
5
Could you send all this to support@quantumwise.com? Please also enclose the corresponding hdf5 file. 
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Questions and Answers / Re: T(E) diagram
« Last post by nbsh on Today at 07:35 »
Thank you very much :)
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Questions and Answers / How to obtain demo license?
« Last post by ocdor on Today at 04:37 »
Dear friends:
                I first time install ATK in Linux system, I want to obtain demo license, but failed.  It show "Incompletely or empty demo license obtained". What mean´╝čHow can I obtain license successfully? Thank you  !
8
General Questions / 2017.1 Error on AnalysisBar Add-on
« Last post by Max on Today at 04:37 »
Dear all,

When I plot the transmission eigenstate, there is an error during using the viewer to plot a 3D figure. How can I fix it? The version is 2017.1. Thanks!

My py file:
====================================================
path = 'ivcurve_selfconsistent_configuration_0.30000V.hdf5'
device_configuration = nlread(path, object_id='DeviceConfiguration_0')[0]

transmission_eigenstate = TransmissionEigenstate(
    configuration=device_configuration,
    energy=0.03*eV,
    k_point=[0, 0],
    quantum_number=0,
    contributions=Left,
    energy_zero_parameter=AverageFermiLevel,
    )
nlsave('Trans_Eigenstate_E_0.03_vb_0.3_QN_0.hdf5', transmission_eigenstate)


=================================================================
The "hdf5" file is the size of about 215MB.

=================================================================
The error can be found in the attached figure.


Details of the error:
==============================================================
Exception message:
Traceback (most recent call last):
  File "zipdir\NL\GUI\MainWindow\AnalysisBar\AnalysisBar.py", line 60, in widget
  File "C:\Program Files (x86)\QuantumWise\VNL-ATK-2017.1\Lib\site-packages\AddOns\BasicAnalysis\ViewerPlugin.py", line 84, in createWidget
    scene_window._addObjects(object_dict)
  File "zipdir\NL\GUI\Tools\Viewer\Viewer.py", line 326, in _addObjects
  File "zipdir\NL\GUI\Graphics\GL\Scene\Scene.py", line 812, in addGrid
  File "zipdir\NLEngine.py", line 5103, in __init__
NotImplementedError: Wrong number or type of arguments for overloaded function 'new_Cartesian3D'.
  Possible C/C++ prototypes are:
    Cartesian3D::Cartesian3D()
    Cartesian3D::Cartesian3D(double const &,double const &,double const &)
    Cartesian3D::Cartesian3D(double const &)

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Questions and Answers / Re: electrostatic potential
« Last post by Anders Blom on Yesterday at 23:31 »
The wiggles are due to the atomic resolution
10
You have to first do spin-polarized self-consistent calculation for your device configuration, and then hcompute DOS; you will then get DOS contributions for electrons with spin up and down.
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