{ "file": "/mnt/Store/epsmanTests/CH3I/CH3I_1-60eV/CH3I_1-60eV_orb11_E.ipynb", "doi": "10.5281/zenodo.3660702", "title": "CH3I wavefn test run, orb 11 ioinzation (Iodine 3d, E), 1 - 60 eV", "jobInfo": [ "", "***Reading notebook: /mnt/Store/epsmanTests/CH3I/CH3I_1-60eV/CH3I_1-60eV_orb11_E.ipynb", " ePS CH3I, batch CH3I_1-60eV, orbital orb11_E", " CH3I wavefn test run, orb 11 ioinzation (Iodine 3d, E), sph/ grid", " E=1:2.5:60 (24 points)", " Thu May 25 17:02:30 EDT 2017", "", "Electronic structure input: '/media/hockettp/StoreM/ePolyScat_stuff/CH3I/electronic_structure/CH3I_ref_opt_SPK-AQZP_C3v.molden'" ], "E": [ "1", "2.5", "60", "24" ], "pkg": true, "jRoot": "1-60eV.*orb11_E", "pkgInfo": [ "", "***Pkg dry run", "Arch: /mnt/Store/epsmanTests/CH3I/pkg/CH3I_1-60eV_orb11_E.zip", "jRoot: 1-60eV.*orb11_E", "rePat: .*1-60eV.*orb11_E.*$(?
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*Web version*:
https://phockett.github.io/ePSdata/CH3I_1-60eV/CH3I_1-60eV_orb11_E.html

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