The table below shows a list of published force constabt potential (FCP) models. The entries in the first column are linked to FCP model files in hiphive format.
The second column links to the publication in which the respective model has been constructed and that should be cited when using this model. Please also refer to the original publication for supporting information, which is typically provided on zenodo and includes, e.g., reference data and supporting scripts.
The following code block illustrates how to access the models using the hiphive package:
from hiphive import ForceConstantPotential fcp = ForceConstantPotential.read('my-model.fcp') print(fcp)
|monolayer MoS2, 6th order, based on PBE||Brorsson et al. (2021)Permalink|
|BaGaGe, 4th order, based on vdW-DF-cx||Brorsson et al. (2021)Permalink|
|SnSe, 6th order, based on vdW-DF-cx||Brorsson et al. (2021)Permalink|