**Sum_PDOS** |
- Date: 2022/12/22 20:36
- Name:
**Lina**
- Dear all,
I calculated the total DOS of my structure, containing 100 atoms of carbon and 10 atoms of oxygen. Now I want to obtain the PDOS, but I obtained those generated files when choosing a number for the carbon atom from 100 atoms Structure.PDOS.Tetrahedron.atom1 Structure.PDOS.Tetrahedron.atom1.s1 Structure.PDOS.Tetrahedron.atom1.p1 Structure.PDOS.Tetrahedron.atom1.p2 Structure.PDOS.Tetrahedron.atom1.p3 Structure.PDOS.Tetrahedron.atom1.d1 Structure.PDOS.Tetrahedron.atom1.d2 Structure.PDOS.Tetrahedron.atom1.d3 Structure.PDOS.Tetrahedron.atom1.d4 Structure.PDOS.Tetrahedron.atom1.d5
My questions:
Is there a way to sum those files: Structure.PDOS.Tetrahedron.atom1.p1, Structure.PDOS.Tetrahedron.atom1.p2, Structure.PDOS.Tetrahedron.atom1.p3, into one p file for atom1 ?
Is there a way to sum all p files of all the carbon atoms in one file?
I would like to ask please if we sum those files: Structure.PDOS.Tetrahedron.atom1, Structure.PDOS.Tetrahedron.atom2, etc…. Are we obtaining the same TOTAL DOS?
Thank you so much. Best regards. Lina.
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