Author Topic: Quantum wise related problems  (Read 2281 times)

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Offline anibose3

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Quantum wise related problems
« on: January 18, 2017, 08:32 »
Dear Sir,
I am using Quantumwise version: Virtual NanoLab 2015 and during the time of GW calculation in new calculator under FHI AIMS option I am not getting any .nc(Net CDF) file, without it I can't get any output curve(band structure, DOS etc). How can I solve this problem? Is there anyone who can tell me that how can I perform GW calculations in Quantumwise.

Offline Ulrik G. Vej-Hansen

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Re: Quantum wise related problems
« Reply #1 on: January 18, 2017, 20:45 »
We should support at least some GW calculations through FHI-AIMS, so could you please provide your scripts and other relevant files? Then we can take a look.

Offline anibose3

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Re: Quantum wise related problems
« Reply #2 on: January 19, 2017, 05:46 »
Dear Sir,
I have enclosed the python script here.Can you please look into this.

Offline anibose3

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Re: Quantum wise related problems
« Reply #3 on: January 19, 2017, 05:49 »
I have enclosed the log file also here.I am not getting any .nc file.

Offline Anders Blom

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Re: Quantum wise related problems
« Reply #4 on: January 19, 2017, 07:22 »
Did you actually read the log file? It says "The FHI-aims calculator is not supported for 32-bit linux platforms." which pretty much explains the problem.