Plotting Band Structure

Graphical user interfaces and scripting environments for Abinit.
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devondillon333
Posts: 3
Joined: Thu Dec 22, 2016 3:58 am

Plotting Band Structure

Post by devondillon333 » Thu Dec 22, 2016 4:08 am

I'm having trouble plotting the band structure in the fold2Bloch tutorial with the scripts provided. I have Matlab and scilab. In Matlab i got nothing, Scilab gave me a plot but it made no sense. i also tried python AbinitBandstructuremaker.py and got an error saying

datasetkey[-1].append(float(starter[i].split()[1]))
ValueError: could not convert string to float: =

Any advise will be very much appreciated.

devondillon333
Posts: 3
Joined: Thu Dec 22, 2016 3:58 am

Re: Plotting Band Structure

Post by devondillon333 » Fri Dec 23, 2016 9:09 pm

this is the error code when insert -debug. Help please.

--> fermi energy found
automatic
Traceback (most recent call last):
File "AbinitBandStructureMaker.py", line 836, in <module>
datasetkey[-1].append(float(starter[i].split()[1]))
ValueError: could not convert string to float: =

TristanDelaine
Posts: 1
Joined: Fri Jun 30, 2017 2:45 pm

Re: Plotting Band Structure

Post by TristanDelaine » Fri Jun 30, 2017 2:50 pm

I had this issue but it got solved. I am not sure what I did, to be honest, but I will go take a look at it and will let you know if there's something I'd recommend.
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harada57
Posts: 4
Joined: Wed Aug 09, 2017 6:24 am

Re: Plotting Band Structure

Post by harada57 » Wed Aug 09, 2017 10:28 am

I want to know the GLLBSC can be used in abinit successfully? How to do for that? Thanks a lot!


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