done a ## calculation with LOPTICS = .TRUE. (see above) #ALGO = CHI ; LSPECTRAL = .FALSE. #LRPA = .FALSE. ## be sure to take the same number of bands as...
2 KB (308 words) - 13:20, 14 November 2019
# and a reasonable number of virtual states (see above) ALGO = GW0 ; LSPECTRAL = .TRUE. ; NOMEGA = 50 # be sure to take the same number of bands as for...
7 KB (1,091 words) - 08:43, 14 November 2019
## and a reasonable number of virtual states (see above) ALGO = GW0 ; LSPECTRAL = .TRUE. ; NOMEGA = 50 #LRPA = .FALSE. ## be sure to take the same number...
7 KB (1,000 words) - 08:45, 14 November 2019
(see INCAR.LOPTICS2): CSHIFT=0.466 Redo the ALGO=CHI calculation with LSPECTRAL=.FALSE. in the ALGO=CHI calculation (see INCAR.CHI2). and compare the dielectric...
14 KB (2,054 words) - 13:21, 14 November 2019
