Thermal conductivity  [SOLVED]

Graphical user interfaces and scripting environments for Abinit.

Thermal conductivity

Postby Aiswarya Samal » Wed Mar 27, 2019 1:54 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 ..
Aiswarya Samal
 
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Re: Thermal conductivity  [SOLVED]

Postby mverstra » Wed Mar 27, 2019 4:11 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
mverstra
 
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