EPW Forum

Dear Friends, I was doing a compare calculation of the same set of system. Firstly I did the calculation with Wannierize = .true., then I replaced the input file with Wannierize = .false. and eig_read = .true. to readin a set of prefix.eig from former Wannierized file. However, there are around 3 ...

Hi Yipeng, The phonon projections on each atom are the eigenvectors of dynamical matrix. These informations could be extracted from matdyn.modes, a normal output from matdyn.x as a result of diagonalization of the dynamical matrix. It reads like this: diagonalizing the dynamical matrix ... q = 0 ...

Dear Chendix: .., I'm replacing the hr.dat file and .eig file with my modified Hamiltonians and eigenvalues. However, after I fed the modified hr.dat and .eig files into EPW ... How did you feed them into EPW? The correct way is to (1) perform scf, nscf, phonon calculations with external fields, (2 ...

As a follow up of this question, I'm replacing the hr.dat file and .eig file with my modified Hamiltonians and eigenvalues. However, after I fed the modified hr.dat and .eig files into EPW, it grows stranger to the original band structure when the external potential increases. 0.00.png 1.00.png From ...

Dear Friends, I'm a newcomer to the EPW calculation, so I apologize if my question is too generic. I have a series of Hamiltonians Hnm ( R ) of a hydride in the same set of MLWF basis under different external fields. Now I'm searching on how to calculate the Eliashberg function a2F and e-ph coupling ...