including van der waals interaction into DFPT
Posted: Thu Aug 01, 2013 11:29 am
Dear users,
Can DFPT sources of abinit also calculate the effect of vdw interactions on phonon frequencies? Can one use for example ixc=-170 to compute electron-phonon interaction correctly and calculate the vdw effect on the the related matrix components?
Sincerely yours,
Marsusi.
Can DFPT sources of abinit also calculate the effect of vdw interactions on phonon frequencies? Can one use for example ixc=-170 to compute electron-phonon interaction correctly and calculate the vdw effect on the the related matrix components?
Sincerely yours,
Marsusi.