[QE-users] 0.0000 in QHA outputs

[Dr. K. C. Bhamu]

Dear Quantum Espresso/QHA Users
I am trying to calculate the entropy of a molecule (49atoms, C and H) in
the gas phase using QHA provided with QE6.6.
I could run the examples supplied with the QHA code.
But when I run it for H2 molecule, I always get 0.0000 in the
case(H2).QHA.out file.
Similar information (0.000) is written in other files also.

What could be wrong?
I have edited the Edit_Me file properly.
Few header rows from H2.QHA.out file is mentioned below while the entire
directory can be downloaded from here <https://we.tl/t-EfBU7ZFvWE>.

# Zero vibration energy:      0.0000000000  (Ry/cell)
# Phonon DOS norm      :      0.000000      ! 3N for check purpose, N
number of atoms in the unit cell
# T in K, F_vib in Ry/cell, C_v in R (the universal gas constant by 3N
modes), S in k_B
#
#   T         E_internal        F_vibration          Specific heat (C_v)
    Entropy
############################################################################################################
    5.00      0.0000000000      0.0000000000           0.0000000000
 0.0000000000  *>> I used step 0.75 too*
   10.00      0.0000000000      0.0000000000           0.0000000000
 0.0000000000
   15.00      0.0000000000      0.0000000000           0.0000000000
 0.0000000000
   20.00      0.0000000000      0.0000000000           0.0000000000
 0.0000000000

Any help would be appreciated.

Regards

KC Bhamu(Ph.D.)
University of Ulsan
South Korea
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