Difference between revisions of "Diamond p1.m"
m (Add missing Version/authors metadata and remove raw author emails) |
(sync with Spinach main f053e432: relaxation model removed from function; full Nir-Arad and Smith references with DOIs) |
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{{DISPLAYTITLE:diamond_p1.m}} __NOTOC__ | {{DISPLAYTITLE:diamond_p1.m}} __NOTOC__ | ||
| − | P1 centre spin system for diamond. Magnetic parameters are from Nir- | + | P1 centre spin system for diamond. Magnetic parameters are from Nir-Arad et al. Phys. Chem. Chem. Phys. 26, 27633 (2024), [https://doi.org/10.1039/d4cp03055a DOI link], and Smith et al. Phys. Rev. 115, 1546 (1959), [https://doi.org/10.1103/PhysRev.115.1546 DOI link]. |
==Syntax== | ==Syntax== | ||
| Line 7: | Line 7: | ||
| − | == | + | ==Parameters== |
| + | a structure (parameters.*) with the following fields: | ||
| + | |||
parameters.orientation - '111', '110', or '100' crystal plane normal | parameters.orientation - '111', '110', or '100' crystal plane normal | ||
aligned with the magnetic field; default is '111' | aligned with the magnetic field; default is '111' | ||
| − | + | ||
parameters.nitrogen - '14N' or '15N'; default is '14N' | parameters.nitrogen - '14N' or '15N'; default is '14N' | ||
| Line 17: | Line 19: | ||
sys - Spinach system specification structure | sys - Spinach system specification structure | ||
| − | + | ||
| − | + | inter - Spinach interaction specification structure | |
==See also== | ==See also== | ||
| − | [[diamond_nvm_gs.m]], [[Import,_export,_and_visualisation | + | [[diamond_nvm_gs.m]], [[allyl_pyruvate.m]], [[dac_reaction.m]], [[fatty_acid.m]], [[strychnine.m]], [[Import,_export,_and_visualisation]] |
''Version 2.11, authors: [[Alexey Bogdanov]]'' | ''Version 2.11, authors: [[Alexey Bogdanov]]'' | ||
Latest revision as of 06:39, 30 August 2026
P1 centre spin system for diamond. Magnetic parameters are from Nir-Arad et al. Phys. Chem. Chem. Phys. 26, 27633 (2024), DOI link, and Smith et al. Phys. Rev. 115, 1546 (1959), DOI link.
Syntax
[sys,inter]=diamond_p1(parameters)
Parameters
a structure (parameters.*) with the following fields:
parameters.orientation - '111', '110', or '100' crystal plane normal
aligned with the magnetic field; default is '111'
parameters.nitrogen - '14N' or '15N'; default is '14N'
Outputs
sys - Spinach system specification structure inter - Spinach interaction specification structure
See also
diamond_nvm_gs.m, allyl_pyruvate.m, dac_reaction.m, fatty_acid.m, strychnine.m, Import,_export,_and_visualisation
Version 2.11, authors: Alexey Bogdanov
