ABINIT Discussion Forums

Dear ABINIT users, Following the instrustions of electron-phonon interaction lesson of ABINIT tutorial for V. 5.8, one could get the electron-phonon matrix elements of Aluminum using MRGGKK code. The matrix elements will be stored in the filename_GKK.bin . These elements are derived from Eq.1 GKK=sq...

Dear ABINIT users, Following the instrustions of electron-phonon interaction lesson of ABINIT tutorial for V. 5.8, one could get the electron-phonon matrix elements of Aluminum using MRGGKK code. The matrix elements will be stored in the filename_GKK.bin . These elements are derived from Eq.1 GKK=sq...

Dear ABINIT users, Following the instrustions of electron-phonon interaction lesson of ABINIT tutorial for V. 5.8, one could get the electron-phonon matrix elements of Aluminum using MRGGKK code. The matrix elements will be stored in the filename_GKK.bin . These elements are derived from Eq.1 GKK=sq...

Hi All, I followed the lesson on electron-phonon interaction presented in Abinit website for V. 5.8 to calculate the dynamical matrix(GKK) for aluminum. The Abinit uses Eq-1 to calculate Gkk matrix. Gkk=sqrt(1/2mw)<fk'n'|H|fkn> (1) where m is the mass, w is phonon frequency , f is wave function, H i...