[Pw_forum] band structure symmetry
pourya at flex.phys.tohoku.ac.jp
pourya at flex.phys.tohoku.ac.jp
Sat Oct 25 04:50:52 CEST 2014
Dear all
Hi,
When I calculate band structure in the out put file there are some
information that I do not know what their interpretation are.
the number of band, its energy, 1-->(what does it mean 1?), symmetry of
wavefunction, D_1 or D_2 or D_3 or D_4( I do not know what they are), S_1
or S_2 or S_3 or S_4 (What are they?)
e( 4 - 4) = -3.27325 eV 1 --> B_2 D_4 S_4
e( 5 - 5) = -2.47818 eV 1 --> A_2 D_2 S_2
e( 6 - 6) = 7.61142 eV 1 --> B_2 D_4 S_4
e( 7 - 7) = 9.87798 eV 1 --> A_1 D_1 S_1
e( 8 - 8) = 10.36830 eV 1 --> B_1 D_3 S_3
e( 9 - 9) = 10.67370 eV 1 --> A_1 D_1 S_1
e( 10 - 10) = 11.78493 eV 1 --> B_2 D_4 S_4
I will appreciate you to help me to understand the meaning of them.
Thanks in advance !
P. Ayria
PhD. student of Tohoku university
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