Home
last modified time | relevance | path

Searched refs:Angstroms (Results 76 – 100 of 881) sorted by relevance

12345678910>>...36

/dports/science/lammps/lammps-stable_29Sep2021/examples/tersoff/
H A DSi.tersoff6 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSi.tersoff.mod6 # A,B = eV; lambda1,lambda2 = 1/Angstroms; R,D = Angstroms
/dports/science/lammps/lammps-stable_29Sep2021/potentials/
H A DSi.tersoff6 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DGe.tersoff6 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSiC.tersoff11 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DGaN.tersoff5 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSiO.tersoff6 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSiC_1989.tersoff10 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSiC_1994.tersoff10 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSiC_1990.tersoff10 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
H A DSi.tersoff.mod6 # A,B = eV; lambda1,lambda2 = 1/Angstroms; R,D = Angstroms
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_QuinticSmoothed__MD_093895395358_003/
H A DREADME54 Line 2: `cutoff' value in Angstroms
57 Line 5: Morse `C' value in 1/Angstroms
58 Line 6: Morse `Rzero' value in Angstroms
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Dunits.rst103 * distance = Angstroms
106 * velocity = Angstroms/femtosecond
113 * dipole = charge\*Angstroms
120 * distance = Angstroms
123 * velocity = Angstroms/picosecond
130 * dipole = charge\*Angstroms
220 * For style *real* these are dt = 1.0 femtoseconds and skin = 2.0 Angstroms.
221 * For style *metal* these are dt = 0.001 picoseconds and skin = 2.0 Angstroms.
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_Dynamo__MD_120291908751_005/
H A DREADME71 cubic lattice constant is in Angstroms. On line 3, Nrho and Nr are the number
75 Angstroms; I'm not sure of the units for drho - some measure of electron
92 in the EAM energy expression as r*phi, in units of eV-Angstroms, via the
96 where 1 Hartree = 27.2 eV and 1 Bohr = 0.529 Angstroms.
111 file described above. Note that the cutoff (in Angstroms) is a global value,
121 The cubic lattice constant is in Angstroms. The F and rho arrays are unique to
130 setfl files directly as r*phi (in units of eV-Angstroms), since they are for
169 array are listed in the same manner (r*phi, units of eV-Angstroms) as in EAM
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticHermiteSpline__MD_029719603993_003/
H A DREADME68 cubic lattice constant is in Angstroms. On line 3, Nrho and Nr are the number
72 Angstroms; I'm not sure of the units for drho - some measure of electron
89 in the EAM energy expression as r*phi, in units of eV-Angstroms, via the
93 where 1 Hartree = 27.2 eV and 1 Bohr = 0.529 Angstroms.
108 file described above. Note that the cutoff (in Angstroms) is a global value,
118 The cubic lattice constant is in Angstroms. The F and rho arrays are unique to
127 setfl files directly as r*phi (in units of eV-Angstroms), since they are for
166 array are listed in the same manner (r*phi, units of eV-Angstroms) as in EAM
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_CubicNaturalSpline__MD_853402641673_002/
H A DREADME68 cubic lattice constant is in Angstroms. On line 3, Nrho and Nr are the number
72 Angstroms; I'm not sure of the units for drho - some measure of electron
89 the EAM energy expression as r*phi, in units of eV-Angstroms, via the formula
92 Angstroms.
107 described above. Note that the cutoff (in Angstroms) is a global value, valid
117 The cubic lattice constant is in Angstroms. The F and rho arrays are unique to a
126 files directly as r*phi (in units of eV-Angstroms), since they are for atom
165 are listed in the same manner (r*phi, units of eV-Angstroms) as in EAM setfl
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticClampedSpline__MD_532469991695_003/
H A DREADME68 cubic lattice constant is in Angstroms. On line 3, Nrho and Nr are the number
72 Angstroms; I'm not sure of the units for drho - some measure of electron
89 in the EAM energy expression as r*phi, in units of eV-Angstroms, via the
93 where 1 Hartree = 27.2 eV and 1 Bohr = 0.529 Angstroms.
108 file described above. Note that the cutoff (in Angstroms) is a global value,
118 The cubic lattice constant is in Angstroms. The F and rho arrays are unique to
127 setfl files directly as r*phi (in units of eV-Angstroms), since they are for
166 array are listed in the same manner (r*phi, units of eV-Angstroms) as in EAM
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/phonon/4-Graphene/
H A DSiC.tersoff9 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/libraryps/development_psps/
H A DPt12 Comment: Method re(Angstroms) De(eV) we(cm-1)
19 Comment: Method re(Angstroms) De(eV) we(cm-1)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/libraryps/development_psps/
H A DPt12 Comment: Method re(Angstroms) De(eV) we(cm-1)
19 Comment: Method re(Angstroms) De(eV) we(cm-1)
/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem4.2/
H A Dwater_ir_anharm.out91 Standard Nuclear Orientation (Angstroms)
109 Distance Matrix (Angstroms)
380 Distance Matrix (Angstroms)
489 Distance Matrix (Angstroms)
598 Distance Matrix (Angstroms)
711 Distance Matrix (Angstroms)
824 Distance Matrix (Angstroms)
938 Distance Matrix (Angstroms)
1048 Distance Matrix (Angstroms)
1146 Distance Matrix (Angstroms)
[all …]
/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000/
H A DBe-O.tersoff.zbl8 # A, B = eV; lambda1, lambda2, lambda3 = 1/Angstroms; R, D = Angstroms
/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000/
H A DSi.tersoff.mod6 # A,B = eV; lambda1,lambda2 = 1/Angstroms; R,D = Angstroms
/dports/science/jdftx/jdftx-1.6.0/jdftx/doc/tutorials/solid/
H A DDispersion.dox22 Experimentally, the hexagonal lattice constants are a = 2.461 Angstroms
23 (4.651 bohrs) and c = 6.708 Angstroms (12.676 bohrs), which correspond to
24 in-plane carbon-carbon bond lengths of a/sqrt(3) = 1.42 Angstroms
25 and interlayer spacing of c/2 = 3.35 Angstroms.
/dports/science/openkim-models/openkim-models-2021-01-28/portable-models/Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_004/
H A DTersoff_ErhartAlbe_2005_SiC.params19 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms

12345678910>>...36