Data and input files for "X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li_2CO_3".
Contents:
1. Inputs and outputs for calculations of ground-state DFT & GW are in the the ABI directory
2. Inputs and outputs for the MD simulations are in the MD directory
3. Inputs and outputs for the X-ray calculations are in the Xray directory
4. Experimental data are in the Expt directory
Plotting scripts for producing the figures are also included
About this Dataset
| Title | X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li2CO3 |
|---|---|
| Description | Data and input files for "X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li_2CO_3". Contents: 1. Inputs and outputs for calculations of ground-state DFT & GW are in the the ABI directory 2. Inputs and outputs for the MD simulations are in the MD directory 3. Inputs and outputs for the X-ray calculations are in the Xray directory 4. Experimental data are in the Expt directory Plotting scripts for producing the figures are also included |
| Modified | 2026-04-14 00:00:00 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:[email protected] |
| Keywords | X-ray absorption , x-ray emission |
{
"identifier": "ark:\/88434\/mds2-4167",
"accessLevel": "public",
"contactPoint": {
"hasEmail": "mailto:[email protected]",
"fn": "John Vinson"
},
"programCode": [
"006:045"
],
"landingPage": "https:\/\/data.nist.gov\/od\/id\/mds2-4167",
"title": "X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li2CO3",
"description": "Data and input files for \"X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li_2CO_3\".\n\nContents:\n1. Inputs and outputs for calculations of ground-state DFT & GW are in the the ABI directory\n2. Inputs and outputs for the MD simulations are in the MD directory\n3. Inputs and outputs for the X-ray calculations are in the Xray directory\n4. Experimental data are in the Expt directory\n\nPlotting scripts for producing the figures are also included",
"language": [
"en"
],
"distribution": [
{
"downloadURL": "https:\/\/data.nist.gov\/od\/ds\/mds2-4167\/LiCO3_data.tgz",
"description": "Experimental results; inputs and outputs for calculations",
"mediaType": "application\/gzip",
"title": "Data"
},
{
"downloadURL": "https:\/\/data.nist.gov\/od\/ds\/mds2-4167\/README.txt",
"description": "Description of data set",
"mediaType": "text\/plain",
"title": "README file"
}
],
"bureauCode": [
"006:55"
],
"modified": "2026-04-14 00:00:00",
"publisher": {
"@type": "org:Organization",
"name": "National Institute of Standards and Technology"
},
"theme": [
"Physics:Spectroscopy",
"Physics:Condensed matter",
"Materials:Materials characterization",
"Materials:Modeling and computational material science",
"Chemistry:Theoretical chemistry and modeling"
],
"keyword": [
"X-ray absorption",
"x-ray emission"
]
}