mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 20:12:53 +01:00
3a78f18cfc
This adds another option and a mode flag in dmftproj: * third value in window line defines now the mode * new option to provide an energy window where all bands which are within the window (at least at one k-point) are taken into account for the projectors. * updates to documention to reflects those changes
16 lines
776 B
Plaintext
16 lines
776 B
Plaintext
3 ! Nsort
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1 1 3 ! Mult(Nsort)
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3 ! lmax
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complex ! choice of angular harmonics
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1 0 0 0 ! l included for each sort
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0 0 0 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)
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cubic ! choice of angular harmonics
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1 1 2 0 ! l included for each sort
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0 0 2 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)
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01 !
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0 ! SO flag
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complex ! choice of angular harmonics
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1 1 0 0 ! l included for each sort
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0 0 0 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)
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-0.11 0.14 0 ! lower energy window limit, upper energy window limit, mode (0,1,2)
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