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General Questions and Answers / Plot Fermi Surfaces
« on: April 25, 2018, 12:08 »
Hello everyone,
this is my first message on this forum, so let me briefly introduce myself. I am a PhD student in theoretical physics since few months now and I'm interested in studying the band structures of some heavy fermion compounds.
I calculated recently the energies of the compound I'm looking at using an LMTO code and I obtained an output organized as follows :
1 0.000 0.000 0.000
-101.06 .............................................................................
where 1 means the first point, the three 0.000 the three k-points and -101 and the dots all the values of the energies at this point (and this for all the points). I also have access to the Fermi energy of my system.
I would like to know how could I use this file to plot the related Fermi surface. I think that it might be possible to do it thanks to an appropriate script in Python and the Paraview software. What I would like to do with the script is to define the crystal structure of the compound (HCP here) and the corresponding critical points and then to extract the needed values of the energy in the output and run that in Paraview.
Does anyone of you know how is it possible to do that, please ? And probably if there are some easier ways to do that than using Paraview ?
Thank you very much for your help !
this is my first message on this forum, so let me briefly introduce myself. I am a PhD student in theoretical physics since few months now and I'm interested in studying the band structures of some heavy fermion compounds.
I calculated recently the energies of the compound I'm looking at using an LMTO code and I obtained an output organized as follows :
1 0.000 0.000 0.000
-101.06 .............................................................................
where 1 means the first point, the three 0.000 the three k-points and -101 and the dots all the values of the energies at this point (and this for all the points). I also have access to the Fermi energy of my system.
I would like to know how could I use this file to plot the related Fermi surface. I think that it might be possible to do it thanks to an appropriate script in Python and the Paraview software. What I would like to do with the script is to define the crystal structure of the compound (HCP here) and the corresponding critical points and then to extract the needed values of the energy in the output and run that in Paraview.
Does anyone of you know how is it possible to do that, please ? And probably if there are some easier ways to do that than using Paraview ?
Thank you very much for your help !