## This content will become publicly available on October 28, 2020

# DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations

- Authors:

- Publication Date:

- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

- OSTI Identifier:
- 1572128

- Grant/Contract Number:
- SC0008637; SC0017380; AC02-05CH11231; W911NF1810242

- Resource Type:
- Publisher's Accepted Manuscript

- Journal Name:
- Computer Physics Communications

- Additional Journal Information:
- Journal Name: Computer Physics Communications Journal Volume: 246 Journal Issue: C; Journal ID: ISSN 0010-4655

- Publisher:
- Elsevier

- Country of Publication:
- Netherlands

- Language:
- English

### Citation Formats

```
Motamarri, Phani, Das, Sambit, Rudraraju, Shiva, Ghosh, Krishnendu, Davydov, Denis, and Gavini, Vikram. DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations. Netherlands: N. p., 2020.
Web. doi:10.1016/j.cpc.2019.07.016.
```

```
Motamarri, Phani, Das, Sambit, Rudraraju, Shiva, Ghosh, Krishnendu, Davydov, Denis, & Gavini, Vikram. DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations. Netherlands. doi:10.1016/j.cpc.2019.07.016.
```

```
Motamarri, Phani, Das, Sambit, Rudraraju, Shiva, Ghosh, Krishnendu, Davydov, Denis, and Gavini, Vikram. Wed .
"DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations". Netherlands. doi:10.1016/j.cpc.2019.07.016.
```

```
@article{osti_1572128,
```

title = {DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations},

author = {Motamarri, Phani and Das, Sambit and Rudraraju, Shiva and Ghosh, Krishnendu and Davydov, Denis and Gavini, Vikram},

abstractNote = {},

doi = {10.1016/j.cpc.2019.07.016},

journal = {Computer Physics Communications},

number = C,

volume = 246,

place = {Netherlands},

year = {2020},

month = {1}

}

Free Publicly Available Full Text

This content will become publicly available on October 28, 2020

Publisher's Version of Record

Other availability

Save to My Library

You must Sign In or Create an Account in order to save documents to your library.