plotting Band structure

Total energy, geometry optimization, DFT+U, spin....

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nouria.aouail
Posts: 8
Joined: Thu May 16, 2013 2:15 pm

plotting Band structure

Post by nouria.aouail » Thu May 24, 2018 10:04 am

Dear All

I try to plot the band structure of ZnTe (FCC structure) witch study with the VCA method , but I have always an error message:
Traceback (most recent call last):
File "AbinitBandStructureMaker.py", line 855, in <module>
datasetkey[-1].append(float(starter[i].split()[1]))
ValueError: could not convert string to float: =

I can't detect where is the problem exactly ? :roll: :roll: :roll:

I would be very grateful if you could help me

Nouria aouail

zahida
Posts: 1
Joined: Mon Jul 23, 2018 4:50 pm

Re: plotting Band structure

Post by zahida » Mon Jul 23, 2018 4:55 pm

Hi,
It is not an answer to your question, but I got the same error message and can not plot my band structure, did you find what was the problem? Thanks

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