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Messages - malay srivastava

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1
General Questions and Answers / Mobility Isotropic scattering
« on: March 12, 2021, 22:12 »
sir,

I was trying to run the example script given in mobility isotropic scattering, but it gives the following error. Please suggest.
NL.ComputerScienceUtilities.Exceptions.NLValueError: The length of 'inverse_relaxation_time' does not match the length of 'energies'.

2
General Questions and Answers / Grain Boundary Scattering simulations
« on: March 12, 2021, 21:08 »
Dear Sir,
I am trying to run grain boundary scattering study object. The online script provided in module seems to not working. The license version which I have is 2019.12 version.
Please provide some alternate way or working script to help in running grain boundary scattering study object successfully.

3
Scripts, Tutorials and Applications / Re: Non-equilibrium momentum exchange simulation
« on: March 5, 2021, 12:48 »
Sir, I cannot find a plot edit. please find the attachment. Edit plot does not have the option to get the gradient. Also, how to export the data to text file from MD analyzer.

4
Scripts, Tutorials and Applications / Non-equilibrium momentum exchange simulation
« on: March 5, 2021, 01:22 »
In Setting up the non-equilibrium momentum exchange simulation, there is no option for selection of Zmin or Zmax. I am using 2019.12 version. For calculating Temperature gradient, Zmin, Zmax selection is required. Any suggestions , please?

5
General Questions and Answers / How to use GPUs for quantumatk calculations?
« on: September 29, 2020, 01:26 »
Dear all,
How can I use my GPUs for running quantumatk simulations. please help!
I have linux system, with nice GPU processor.

6
General Questions and Answers / Re: Job Manager won't work
« on: September 29, 2020, 01:01 »
Delete the .hdf5 file in .vnl folder. It will work!

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