fig3

A metadata schema for lattice thermal conductivity from first-principles calculations

Figure 3. (A) Workflow for structural optimization. The metadata element and its number of adjustments in each step are listed. (B) Metadata structure for structural optimization.

Journal of Materials Informatics
ISSN 2770-372X (Online)
Follow Us

Portico

All published articles are preserved here permanently:

https://www.portico.org/publishers/oae/

Portico

All published articles are preserved here permanently:

https://www.portico.org/publishers/oae/