> The descriptions for esepermin and eseper0 in case.in2 file in userguid > and in "DFT and family ..." sec 6.1.4 are different, which one is correct?
Indeed, the names were incorrectly switched. Whenever such a situation arises: it is the usersguide which is correct. > When I want to do a spin polarized calculation for a compound like > Co2TiAl in instgen_lapw step should I choose spin up for all atoms or > -up for Co and Ti and -nm for Al. You will need less iterations before reaching convergence if you initialize the 'non-magnetic' atoms (e.g. Al) as -nm. It is not wrong, however, to initialize them as -up. It just takes more time. Stefaan
