Hi all, I did scf calculation (using pw.x) with flags lspinorb = .true and noncolin = .true. Then I run projwfc.x (for pdos). Following files were generated: 1) *pdos_atom#1(C)_wfc#1(s)* 2)* pdos_atom#1(C)_wfc#1(s_j0.5)* 3) *pdos_atom#1(C)_wfc#2(p)* 4)* pdos_atom#1(C)_wfc#2(p_j0.5)* 5) *pdos_atom#1(C)_wfc#3(p_j1.5)* where #4 file had 4 columns which were shown as:
*# E(eV) ldos(E) pdos(E)_1 pdos(E)_2 * and #5 file had 6 columns as shown below: *# E(eV) ldos(E) pdos(E)_1 pdos(E)_2 pdos(E)_3 pdos(E)_4 * *Q#1: *Can someone explain what does these suffix (_1, _2, _3, etc) mean? Clearly , j1.5 and j0.5 are due to L+/S and L-S respectively. *Q#2:* How can we think of px, py and pz from these new labelled files? Regards, Asad Mahmood, Research Assistant Department of Physics Q.A.U, Islamabad, Pakistan
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