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Topics - Aun

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  Both 2017 and 2018 versions are installed on same sever machine(linux). Is it possible to run 2017 version py  file?

2
General Questions and Answers / Can not open nc file
« on: July 22, 2017, 10:05 »
I am using 2016.4 version and trying to use Tersoff and EAM potentials together. It seems calculation finish correctly according to log file. But I can not open Geometry optimised file of nc file with builder. It says device confrigration error. What should i do to fix this problem. Attached is py file which is using.

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Future Releases / Combining potentials of classical
« on: July 22, 2017, 09:52 »
We can use combining different potentials only Tersoff and Lennard Jones. Hope to use other different potential such as Reaxff and EAM.

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General Questions and Answers / VNL Error
« on: July 7, 2017, 00:30 »
Hi,

I  am calculating phonon transmission sprectum with attached py file.
It seems normally finished with checking log file. But I have folloing error.
How can I handle with it?

Traceback (most recent call last):
  File ".\zipdir\NL\GUI\MainWindow\Threading\Scanner.py", line 74, in process
WindowsError: [Error 2] ホwメ肳ツꂽテtテ@テCテヒツᆰフᄅツ‚ᄅツèツ܂ᄍツñチB: u'C:\\Users\\ASUS\\Documents\\04_quantumwise\\displacement_1201.log'

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Hi,
I am trying to calculate phonon transmission sprectrum using VNL-ATK2016.4.
Regarding calculator, use combining two potentials Tersoff and Lennard Jones as described in tutorial. But phonon transmission sprectrum result is zero for all frequency. I would appreciate if someone could correct this error.
I attached my py file

6
Hi all,

I am trying to use more than one potential.
In  tutorial, at Molecular Dynamic section, it describes how to combine potentials using tags. I tried the same method, but RearFF and Eam potential are not implemented with tag expression. How can i combine RearFF potential with other?

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