[Pw_forum] HELP...!!!!!!

[PRATIK DAS]

Hi all,
I stuck with a problem in QHA(Quasi harmonic approximation) implemented in
Quantum Espresso. I ran a phonon calculation and generate the force
constant file. Using this file I want to calculate the Vibrational Free
energy and entropy of the system. But every time it fails at the
displacement calculation. It is showing some error. Here I am attaching all
the files. Please help me out of the problem.
Thanks in advance.

Sincerely
Pratik


******************Pratik Kr. Das *
Newton Bhabha Fellow,UCL, London
Senior Research Fellow (DST-INSPIRE)
High Pressure and Temperature Lab
Faculty of Science
Jadavpur University
Kolkata 700032
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