[QE-users] Superposition of 2Pz orbital's states

[Gui Wei]

Hi,
When I sum the pdos for 2p orbitals of 64 carbon atoms with sumpdos.x : ./sumpdos.x C.pdos_atm#1(\C\)_wfc#2\(p\) C.pdos_atm#2(\C\)_wfc#2\(p\)……C.pdos_atm#64(\C\)_wfc#2\(p\).I obtain the result that contains only two columns of data:E(eV)and pdos(E) rather than four columns:E(eV) pdos(E) pdos(E) pdos(E).But what I care about is the result of superposition of 2Pz orbital's states.Is there any easy way to quickly count the data I want?




Gui Wei
School of Mechanical Engineering，Chongqing University, China
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