[QE-users] Phonon calculations using SCAN functionals

p ul pierfrancescoulpiani at gmail.com
Sun Nov 8 17:11:43 CET 2020


Dear QE community,
I am trying to run a phonon calculation using SCAN functionals. After
including the libxc library to the QE installation I run before the
electronic calculation with pw (the strange thing is that it didn't work
with more than one processor), attached input and output for a water
molecule. Then the ph calculation didn't work because 'The phonon code with
meta-GGA functionals is not yet available'. Did I make some mistake? Is
there any SCAN functional that allows the phonon calculation? (ph.x input
and output attached)

Thanks a lot
Pierfrancesco Ulpiani
PhD student, University of Rome Tor Vergata
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