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Coefficient and parameter files for carbon SNAP potential as described in Phys. Rev. B 106, L180101  (2022)
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jwillma2
2023-03-21 22:50:17 -04:00
committed by GitHub
parent b635465154
commit 6fc17bfa17
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potentials/C_Willman_PRB2022.quadratic.snapcoeff Normal file
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potentials/C_Willman_PRB2022.quadratic.snapparam Normal file
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# required
rcutfac 2.7
twojmax 8
# optional
rfac0 0.99363
rmin0 0.0
bzeroflag 0
quadraticflag 1