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Create C^
Added MM psp for carbon
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src/nwpw/libraryps/pspw_default/C^
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src/nwpw/libraryps/pspw_default/C^
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@ -0,0 +1,9 @@
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[lmax] -1
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[locp] -1
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[rlocal] 1.0
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[psp_type] 5
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[cutoff] 20.0
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<QMMM>
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C 0.0000 4 0.70
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<end>
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