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dft_tools/doc/guide/Sr2RuO4/Sr2RuO4.indmftpr

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2018-09-04 19:02:10 +02:00
4 ! Nsort
2 1 2 2 ! Multiplicities
3 ! lmax
complex ! Sr
0 0 0 0
0 0 0 0
cubic ! Ru
0 0 2 0 ! include d-shell as correlated
0 0 0 0 ! there are no irreps with SO
1 ! SO-flag
complex ! O1
0 0 0 0
0 0 0 0
complex ! O2
0 0 0 0
0 0 0 0
-0.7 1.4 ! energy window (Ry)