Re: [QE-users] Phonon calculations using SCAN functionals

2020-11-08 Thread Paolo Giannozzi
On Sun, Nov 8, 2020 at 5:12 PM p ul wrote: > Then the ph calculation didn't work because 'The phonon code with meta-GGA > functionals is not yet available' > this is the correct behavior: SCAN is a meta-GGA functional Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,

[QE-users] Phonon calculations using SCAN functionals

2020-11-08 Thread p ul
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