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Added one example of Co3Sn2S2 without magnetization for SHC test
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quanshengwu committed May 23, 2024
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15 changes: 15 additions & 0 deletions examples/Co3Sn2S2/non-magnetic/POSCAR
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Co3Sn2S2 a = 5.3689; c=13.176 https://static-content.springer.com/esm/art%3A10.1038%2Fs41567-018-0234-5/MediaObjects/41567_2018_234_MOESM1_ESM.pdf
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3.09973586025218176708 -0.00000 4.39200000
-1.54986793012609088354 2.68445 4.39200000
-1.54986793012609088354 -2.68445 4.39200000
Co S Sn
3 2 2
Direct
0.5000000000000000 -0.0000000000000000 -0.0000000000000000 Co
-0.0000000000000000 0.5000000000000000 0.0000000000000001 Co
-0.0000000000000000 0.0000000000000000 0.5000000000000000 Co
0.2837100597000001 0.2837100597000000 0.2837100597000001 S
-0.2837100596999999 -0.2837100597000000 -0.2837100597000001 S
0.0000000000000000 0.0000000000000000 0.0000000000000000 Sn
0.5000000000000000 0.5000000000000000 -0.5000000000000000 Sn
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