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

[Andrea Dal Corso]

Thank you for reporting the problem.
Please provide the inputs otherwise it is difficult to understand why
the elastic constant calculation failed.

Andrea


On Tue, 2016-08-09 at 08:40 +0200, agbaoye at physics.unaab.edu.ng wrote:
> 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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Andrea Dal Corso                    Tel. 0039-040-3787428
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