File pb.dyn0.xml not found
Posted: Fri Jan 26, 2024 8:30 am
Hi Samuel,
I want to calculate the electron-phonon matrix element for Pb using your '2023 Virtual School on Many-Body Calculations using EPW and BerkeleyGW - Electron-phonon matrix elements and coupling strength' tutorial.
My first question is: While running q2r.x -in q2r.in > q2r.out, I received an error stating 'file pb.dyn0.xml not found'. I have 4 pb.dynX.xml files corresponding to 4 irreducible q points. Why am I receiving this error, and how can I resolve it?
My second question is: I want to calculate the electron-phonon matrix element in k and q mesh. The decay_epmate() tag calculates the maximum matrix element as a function of hopping distance. Is it possible to output the electron-phonon matrix element in k and q mesh to a file, or do I need to manually perform a Fourier transformation of the maximum matrix element?
Thanks
Priyo
I want to calculate the electron-phonon matrix element for Pb using your '2023 Virtual School on Many-Body Calculations using EPW and BerkeleyGW - Electron-phonon matrix elements and coupling strength' tutorial.
My first question is: While running q2r.x -in q2r.in > q2r.out, I received an error stating 'file pb.dyn0.xml not found'. I have 4 pb.dynX.xml files corresponding to 4 irreducible q points. Why am I receiving this error, and how can I resolve it?
My second question is: I want to calculate the electron-phonon matrix element in k and q mesh. The decay_epmate() tag calculates the maximum matrix element as a function of hopping distance. Is it possible to output the electron-phonon matrix element in k and q mesh to a file, or do I need to manually perform a Fourier transformation of the maximum matrix element?
Thanks
Priyo