Description
Input files for Quantum ESPRESSO for alpha, delta and beta phases. Ultrasoft pseudopotentials used were downloaded from the QE website. The exchange and correlation potentials in the input files are LDA, PBE, vdW-DF, vdW-DF2 and DFT-D. Dataset is embargoed until 31/05/17.
| Date made available | 20 May 2016 |
|---|---|
| Publisher | University of Strathclyde |
| Date of data production | Oct 2014 - May 2016 |
Cite this
Johnston, K. (Supervisor), Pelizza, F. (Creator) (20 May 2016). PVDF crystal structures. University of Strathclyde. apvdf_UsD2_PBE(.in), apvdf_UsLDA(.in), apvdf_UsPBE(.in), apvdf_UsvdW_DF(.in), apvdf_UsvdW_DF2(.in), bpvdf_UsD2_PBE(.in), bpvdf_UsLDA(.in), bpvdf_UsPBE(.in), bpvdf_UsvdW_DF(.in), bpvdf_UsvdW_DF2(.in), dpvdf_UsD2_PBE(.in), dpvdf_UsLDA(.in), dpvdf_UsvdW_DF(.in), dpvdf_UsPBE(.in), dpvdf_UsvdW_DF2(.in). 10.15129/26e38705-5d3d-47c2-9b15-b2aef53641a2