effective charges ## and the macroscopic dielectric tensor LEPSILON = .TRUE. #LRPA = .TRUE. #LPEAD = .TRUE. ## to get the ionic contribution ## to the macroscopic...
14 KB (2,054 words) - 13:21, 14 November 2019
within the RPA (default) or # including changes in the DFT xc-potential (LRPA=.FALSE.). # N.B.: beware one first has to have done a # calculation with...
7 KB (1,091 words) - 08:43, 14 November 2019
within the RPA (default) or ## including changes in the DFT xc-potential (LRPA=.FALSE.). ## N.B.: beware one first has to have done a ## calculation with...
7 KB (1,000 words) - 08:45, 14 November 2019
calculation with LOPTICS = .TRUE. (see above) #ALGO = CHI ; LSPECTRAL = .FALSE. #LRPA = .FALSE. ## be sure to take the same number of bands as for ## the LOPTICS...
2 KB (308 words) - 13:20, 14 November 2019
