[Phonopy-users] use phonopy-qha

[Dr. R. C. <ra...@ig...>]

Dear phonopy users,

I am trying use to VASP-DFPT phonopy interface.  

The syntax:

phonopy-qha e-v.dat thermal_properties-{1..10}.yaml

It is stated in the manual that the list of "thermal_properties.yaml"
files corresponds to the respective volumes of e-v.dat file.

The phonon spectrum corresponding to non-equilibrium volumes show
imaginary bands (which was not there for equilibrium volume).

Whether the calculation is an error?  If so, how to get around this
error?  

Thanks,
Ravi

-- 
Dr. Ravi Chinnappan <ra...@ig...>
Indira Gandhi Centre for Atomic Research