[Pw_forum] effect of the vacum thickness on the dielectric constants

[Luo Xin (IHPC)]

Dear Paolo Giannozzi,
I found that in espresso-5.0.1/PHonon/PH/dielec.f90, the dielectric tensor is related with the volume of the unit cell.
In the calculations of thin film systems, the volume of supercell will be used in DFPT, and the different vacuum thickness will affect the final dielectric tensors, does it means that after we get the dielectric tensor from the output, we should still use the exact thin film volume without vacuum to recalculate the dielectric tensor?
Best regards !
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Dr. Luo Xin
MSE, Institute of High Performance Computing
1 Fusionopolis Way, #16-16, Connexis, Singapore 138632
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