Input parameters

Below you can find a listing of keywords for the nep.in input file.

Keywords

• version
• prediction
• model_type
• type
• type_weight
• zbl
• use_typewise_cutoff_zbl
• cutoff
• n_max
• basis_size
• l_max
• neuron
• lambda_1
• lambda_2
• lambda_e
• lambda_f
• lambda_v
• lambda_q
• lambda_z
• atomic_v
• lambda_shear
• force_delta
• batch
• population
• generation
• save_potential
• output_descriptor
• fine_tune
• charge_mode