@sharpiefatah3657

Hello sir, iam trying to calculate Thermoelectric property using Boltztrap, iam getting wrong graph. I have done scf, ncsf calculation, when i plotted with using xmgrace, which is plotted after converting hartree to Ev. I can't find where the error is, is there a possible where it could be, iam not getting expected shift in graph, iam trying to reproduce a paper, The graph of Electronic properties are matching

@jyoti9611

hello sir ! I am new to boltztrap2, i used quantum espresso output file of Si as an example, i obtained a different graph of band structure when i use the command btp2 plotband interpolation.bt2 ["[]"],.....from which i obtained in QE plotband ,

@lukasv1683

Thanks again!

I am curious about the following things: i) How to do a sigma vs energy plot . I mean if I have the band structure, I could also imagine plotting conductivity for each energy value. I didnt find this as a possibility in btp2 plot option. However, I heard from some people that it is possible. 
ii) How to do a spin polarized Calculation of Onsager coefficients, especially conductivity? The files of /data give hint that it is possible but I dont know exactly how to do. 

For example see this Fig 4 or 5 in this paper: DOI 10.1088/0022-3727/48/48/485301
 I want to do such plots ( but with methods of btp2, not like in the paper)

@basitqayyum-w6k

hey sir!You are doing incredible job.Can you please make some tutorials on boltztrap?

@Ajaydrago

Hello sir, is it possible to interface boltztrap with siesta?

@ZohanSyahFatomi

hi, is it possible to adding high symmetry points in band interpolation?

@hannahjeniffer7269

Hi, can you show how to calculate spin up and spin down trace files with Quantum espresso and boltztrap2??

@ricardotadeu9116

Hello, sir. This is an excellent explanation and I thank you by your efforts to spread tutorials about this topic. 
I have a question though. I was able to manage everything up to the point of this video. I installed Boltztrap2 and I managed interpolation, but when I try to do the plot, I get this error:

AttributeError: '_lzma.LZMADecompressor' object has no attribute 'needs_input'

It's worth mention that I don't have GPAW, but I have Quantum ESPRESSO, and Boltztrap2 generated the correct interpolate.bt2 file using QE output result. So, I don't know what is missing. I would be very grateful if you could answer this question.

@harishabibi6324

Sir, i have one request. Can you please make a video on" how to use boltztrap with VASP to calculate seebeck and power factor" for 2D materials

@jawadislah5708

how calculate that for spin polarized systems please