Dear PW users, I read some of the codes from PW to determine the Fermi energy - namely sumkg,efermig and other related ones. I can't understand something here.
In function sumkg(et,nbnd,nks,wk,degauss,ngauss,e,is,isk), the parameter 'isk' could be 1 or 2 to determine the spin components: 1 for up and 2 for down. Then the function calculate the number of states at a given energy e. If I am right, 'is' could also be 1 or 2 to choose spin component for calculating states. This way, the total number of states seems for one spin only (i.e. roughly half of nelec). But in function efermig, the so calculated number of states is compared with nelec. So I know I must have some misunderstanding in this. Could anybody clear my mind? Thanks! W. YU ____________________________________________________________________________________ Finding fabulous fares is fun. Let Yahoo! FareChase search your favorite travel sites to find flight and hotel bargains. http://farechase.yahoo.com/promo-generic-14795097
