[Wien] EECE Spin-orbit density of states

2013-02-14 Thread Peter Blaha
Why should spin-up and dn be equal ? Only in an antiferromagnet you can have this, a ferromagnet must have different spin-up/dn. Am 13.02.2013 07:41, schrieb Francisco Garcia: Dear users, I ran a EECE calculation with spin-orbit interaction and ended up with a total spin up DOS different

[Wien] EECE Spin-orbit density of states

2013-02-14 Thread Francisco Garcia
Dear Prof. Blaha, Thanks for your reply. I thought SO no longer distinguishes between spin up or spin dn. Therefore x tetra -up x tetra -dn should yield the same DOS output if the atomic index is set to 0 and the qtl column is set to 1 in case.int. In that case does it matter if the system is FM

[Wien] EECE Spin-orbit density of states

2013-02-13 Thread Francisco Garcia
Dear users, I ran a EECE calculation with spin-orbit interaction and ended up with a total spin up DOS different from the total spin down DOS, and the difference is quite significantly. In the past, they always turn be equal so I wondering why the difference this time. My commands for generating