{
"file": "/mnt/femtobackSSHFS/FemtoShare/Results/ePolyScat_stuff/naphthalene/naphthalene_wf_1.0-10.1eV_orb34.ipynb",
"doi": "10.5281/zenodo.3960683",
"title": "Naphthalene HOMO Orb 34 (Au) ionization, 1-10eV",
"jobInfo": [
"",
"***Reading notebook: /mnt/femtobackSSHFS/FemtoShare/Results/ePolyScat_stuff/naphthalene/naphthalene_wf_1.0-10.1eV_orb34.ipynb",
" ePS naphthalene, batch naphthalene_wf_1.0-10.1eV, orbital orb34",
" Naphthalene HOMO Orb 34 (Au) ionization, wavefn test run on AntonJr",
" E=1.0:0.25:10.1 (37 points)",
" Sat Jun 29 06:16:30 EDT 2019",
"",
"Electronic structure input: '/home/paul/ePS_stuff/naphthalene/electronic_structure/naphthalene_aug-cc-pVTZ_E_orbLT76_240619.molden'"
],
"E": [
"1.0",
"0.25",
"10.1",
"37"
],
"pkg": true,
"jRoot": "naphthalene_wf_1.0-10.1.*/.*orb34",
"pkgInfo": [
"",
"***Archive dry run",
"",
"***Pkg dry run",
"Arch: /mnt/femtobackSSHFS/FemtoShare/Results/ePolyScat_stuff/naphthalene/pkg/naphthalene_wf_1.0-10.1eV_orb34.zip",
"jRoot: naphthalene_wf_1.0-10.1.*/.*orb34",
"rePat: .*naphthalene_wf_1.0-10.1.*/.*orb34(?!-).*$(?
*Web version*: https://phockett.github.io/ePSdata/naphthalene/naphthalene_wf_1.0-10.1eV_orb34.html
For more details of the calculations, see readme.txt, or: