Main
Interface
version
prediction
model
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
lambda_d
atomic_v
lambda_shear
force_delta
batch
population
seed
generation
save_potential
output_interval
output_descriptor
fine_tune
import_q_scaler
charge_mode
flip_charge
spin_version
spin_compress
spin_basis_size
spin_l_max
spin_cutoff
spin_order
spin_soc
spin_type
lambda_m
lambda_tau
lambda_spin_response
Backmatter
This keyword selects which NEP version should be used. The syntax is:
version <version_number>
Here, <version_number> must be an integer, which can only be 4, corresponding to NEP4.
<version_number>
More information about the NEP formalism can be found here.