[Pw_forum] d projections

2013-02-21 Thread Giuseppe Mattioli
Dear Taoufik The first two columns contain the total UP and DOWN contributions of the five d orbitals. The following ones should be ordered in agreement with the projwfc documentation Order of m-components for each l in the output: 1, cos(phi), sin(phi), cos(2*phi), sin(2*phi),

[Pw_forum] d projections

2013-02-21 Thread Sakhrawi Taoufek
Dear qe users, i do post processing calculation for Fe with "projwfc.x", the output file look like "fe.pdos_***", this is fe.pdos_atm#1(Fe)_wfc#2(d) file : ### # E (eV)? ldosup(E)? ldosdw(E) pdosup(E)? pdosdw(E)? pdos