[Pw_forum] Running QHA calculations for orthorhombic structure

[Kondaiah Samudrala]

Dear all,

I am working on base centered orthorhombic structure with space group 64. I
run complete phonon dispersion for this compound, but i want to calculate
thermodynamic quantities such as specific heat, thermal expansion for this
compound. Whether it is possible to calculate these things using QHA for
base centered orthorhombic structure in pwscf???


with regards
S.Appalakondaiah
Research scholar
HCU
Hyd-500046
India
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