The ABINIT Users Mailing List ( CLOSED )

[Riad Shaltaf <shaltaf@pcpm.ucl.ac.be>]

Dear pleu@stanford.edu,

examining your input file, I found that you are evaluating the KSS
structure using only 100 bands, whereas for screening and later self
energy calculation you are using 126 and 315 bands respectively, is this
normal?  please check your log file, you may find that in both
calculation (optdriver 3 and 4) the code is only using 100 bands. What I
know is that in GW calculation, your KSS file must include eigenvalues
calculated on a number of bands greater or equal to that of (optdriver 3
or 4), other wise the default will be equal to number of bands in KSS
file. 

-- 
Riad Shaltaf                       UCL/SE/FSA/MAPR/PCPM
Tel: +32 (0)10 47 81 91            Bâtiment Boltzmann, a+1
Fax: +32 (0)10 47 34 52            1 place Croix du Sud
Mel: shaltaf@pcpm.ucl.ac.be        1348 Louvain-la-Neuve (Belgique)