Table 1 General information about NN XC functionals training process.

From: Neural network interpolation of exchange-correlation functional

 

NN LDA

NN GGA

Num. of inputs

1

125

Dataset size, 106

3.3

3.3

rs range, Bohr

[1; 5 × 106]

[1; 1 × 108]

Training/test split (%)

85:15

85:15