Hew, Nigel_Lee En, Myers, Luke Allen, van_de_Walle, Axel, Shang, Shun-Li, and Liu, Zi-Kui. Density Functional Theory ToolKit (DFTTK) to automate first-principles thermodynamics via the quasiharmonic approximation. Retrieved from https://par.nsf.gov/biblio/10636835. Computational Materials Science 258.C Web. doi:10.1016/j.commatsci.2025.114072.

Hew, Nigel_Lee En, Myers, Luke Allen, van_de_Walle, Axel, Shang, Shun-Li, & Liu, Zi-Kui. Density Functional Theory ToolKit (DFTTK) to automate first-principles thermodynamics via the quasiharmonic approximation. Computational Materials Science, 258 (C). Retrieved from https://par.nsf.gov/biblio/10636835. https://doi.org/10.1016/j.commatsci.2025.114072

Hew, Nigel_Lee En, Myers, Luke Allen, van_de_Walle, Axel, Shang, Shun-Li, and Liu, Zi-Kui. "Density Functional Theory ToolKit (DFTTK) to automate first-principles thermodynamics via the quasiharmonic approximation". Computational Materials Science 258 (C). Country unknown/Code not available: elsevier. https://doi.org/10.1016/j.commatsci.2025.114072. https://par.nsf.gov/biblio/10636835.

@article{osti_10636835,
place = {Country unknown/Code not available}, title = {Density Functional Theory ToolKit (DFTTK) to automate first-principles thermodynamics via the quasiharmonic approximation}, url = {https://par.nsf.gov/biblio/10636835}, DOI = {10.1016/j.commatsci.2025.114072}, abstractNote = {}, journal = {Computational Materials Science}, volume = {258}, number = {C}, publisher = {elsevier}, author = {Hew, Nigel_Lee En and Myers, Luke Allen and van_de_Walle, Axel and Shang, Shun-Li and Liu, Zi-Kui}, }