Thermal conductivity  [SOLVED]

Graphical user interfaces and scripting environments for Abinit.
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Aiswarya Samal
Posts: 8
Joined: Mon Mar 18, 2019 1:56 pm

Thermal conductivity

Post by Aiswarya Samal » Wed Mar 27, 2019 12:54 pm

I am trying to calculate the thermal conductivity of aluminium bulk following the tutorial.I got the output files teph_6.out_ep_WTH , teph_6.out_ep_RHO etc.. But I am getting confused how to read this output files.How to plot the graph.In the tutorial it is not mentioned properly how to extract the data from output files of ABINIT.As I am new to ABINIT , facing difficulties in these filed.Please suggest me ..

mverstra
Posts: 645
Joined: Wed Aug 19, 2009 12:01 pm

Re: Thermal conductivity  [SOLVED]

Post by mverstra » Wed Mar 27, 2019 3:11 pm

These files contain the resistivity or _electronic part of_ the thermal conductivity, first in atomic units, then in SI units (there is an additional column, see the file header for more details), as a function of T.
Matthieu Verstraete
University of Liege, Belgium

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