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Fix typo

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This commit is contained in:
Eisuke Kawashima
2020-03-14 12:38:28 +09:00
parent fa7085be07
commit 649a8cc01a
401 changed files with 617 additions and 617 deletions
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2
potentials/BNCH-old.ILP
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# Interlayer Potential (ILP) for bilayer graphene/graphene, graphene/hBN and hBN/hBN junctions
# The parameters below are fitted against the HSE + MBD DFT referece data from 3.1 A to 15 A.
# The parameters below are fitted against the HSE + MBD DFT reference data from 3.1 A to 15 A.
# Cite J. Chem.Theory Comput. 2016, 12, 2896-905 and J. Phys. Chem. C 2017, 121, 22826-22835.
# beta alpha delta epsilon C d sR reff C6 S rcut

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potentials/BNCH.ILP
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# Interlayer Potential (ILP) for bilayer graphene/graphene, graphene/hBN and hBN/hBN junctions
# The parameters below are fitted against the HSE + MBD DFT referece data from 2.5 A to 15 A.
# The parameters below are fitted against the HSE + MBD DFT reference data from 2.5 A to 15 A.
# Cite as W. Ouyang, D. Mandelli, M. Urbakh and O. Hod, Nano Letters 18, 6009-6016 (2018).
#
# ----------------- Repulsion Potential ------------------++++++++++++++ Vdw Potential ++++++++++++++++************

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potentials/BNC_MBD_bulk.ILP
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# Interlayer Potential (ILP) for graphite, bulk-hBN and their heterojunctions
# The parameters below are fitted against the HSE + MBD DFT referece data from 2 A to 10 A.
# The parameters below are fitted against the HSE + MBD DFT reference data from 2 A to 10 A.
# Cite as W. Ouyang et al., J. Chem. Theory Comput. 16(1), 666-676 (2020).
#
# ------------------------------ Repulsion Potential --------------------++++++++++++++ Vdw Potential ++++++++++++++++************

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potentials/BNC_TS_bulk.ILP
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# Interlayer Potential (ILP) for graphite, bulk-hBN and their heterojunctions
# The parameters below are fitted against the HSE + TS DFT referece data from 2 A to 10 A.
# The parameters below are fitted against the HSE + TS DFT reference data from 2 A to 10 A.
# Cite as W. Ouyang et al., J. Chem. Theory Comput. 16(1), 666-676 (2020).
#
# ------------------------------ Repulsion Potential ------------------++++++++++++++ Vdw Potential ++++++++++++++++************