[Thermo_pw-forum] result of debye temperature, entropy, free energy and heat capacity returned NaN

agbaoye at physics.unaab.edu.ng agbaoye at physics.unaab.edu.ng
Tue Aug 9 08:40:36 CEST 2016


Good day to everyone

I did some scf_eleastic_constant and mur_lc_elastic_constants calculations
on thermo_pw but the result of entropy, free energy heat capacity and
energy result data returned NaN also making the debye temperature return a
NaN value. I have tried to figure it out but i am not sure of the cause of
this anomaly and the possible solutions.
I will be glad if this anomaly can be resolved

Thank you

Agbaoye Ridwan Olamide
Federal University of Agriculture, Abeokuta




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