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current for up and down spin channels at different bias from a single nc file
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Topic: current for up and down spin channels at different bias from a single nc file (Read 3760 times)
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Mausumi Chattopadhyaya
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current for up and down spin channels at different bias from a single nc file
«
on:
December 21, 2012, 12:54 »
we have done some current calculations where the bias was supplied in a loop and right now we are interested to extract the current contribution for the up and down spin channel separately at each bias. I know how to calculate this contribution from a single .nc file that contains the results for a particular bias. I would like to know how one could calculate the current contribution of the separate spin channels using a .nc file in a situation where the job has been submitted with a loop. Please note this .nc file contains all the relevant transmission spectra so in principle, one should able to make a script to evaluate the spin polarized currents at the given range of bias from this single .nc file.
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kstokbro
Supreme QuantumATK Wizard
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Re: current for up and down spin channels at different bias from a single nc file
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Reply #1 on:
December 21, 2012, 22:00 »
t_list = nlread('myfile.nc', TransmissionSpectrum)
for t in t_list:
print t.bias(), t.current(spin=Spin.Up), t.current(spin=Spin.Down)
«
Last Edit: December 23, 2012, 00:24 by kstokbro
»
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Anders Blom
QuantumATK Staff
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Re: current for up and down spin channels at different bias from a single nc file
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Reply #2 on:
December 21, 2012, 22:21 »
You can also try the Analyzer posted in
http://quantumwise.com/forum/index.php?topic=2107
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Rohit
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Re: current for up and down spin channels at different bias from a single nc file
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Reply #3 on:
January 27, 2015, 07:12 »
I have done simulation to obtain IV curve for different bias points (0 to 2 V with step size 0.2). As I am working on a cluster , the simulation stopped in between at 0.8V (as in log file). Now I want to check IV curve upto this bias point but no IV object file is there in the nc file. Is there any solution how can I extract the IV curve upto 0.8V from the .nc file and log file .....
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Umberto Martinez
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Re: current for up and down spin channels at different bias from a single nc file
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Reply #4 on:
January 27, 2015, 08:07 »
If you have run the IVCurve analysis and you have set the SCF configurations file you can easily re-calculate the transmission spectra (unfortunately these are not saved before your calculation ends properly) and finally get the IV curve up to that point.
Check IVCurve
http://quantumwise.com/publications/tutorials/item/820-ni-silicide-si-interfaces#h7-1-iv-curves
and the section Post analysis of finite-bias calculations.
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Rohit
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Re: current for up and down spin channels at different bias from a single nc file
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Reply #5 on:
January 29, 2015, 07:24 »
Thanks for the reply.........it solved my problem.......
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current for up and down spin channels at different bias from a single nc file