XC_SMOOTH_RHO |
|
| xc_smooth_rho nn10
|
| The density smoothing used for the xc calculation
|
| This optional keyword expects a keyword. Default value: NONE
|
| valid keywords: NONE, NN50, NN10, SPLINE2, NN6, SPLINE3, NN4 |
XC_DERIV |
|
| xc_deriv NN10_SMOOTH
|
| The method used to compute the derivatives
|
| This optional keyword expects a keyword. Default value: PW
|
| valid keywords: PW, SPLINE3, SPLINE2, NN50_SMOOTH, NN10_SMOOTH, SPLINE2_SMOOTH, NN6_SMOOTH, SPLINE3_SMOOTH, NN4_SMOOTH, COLLOCATE |
USE_FINER_GRID |
|
| use_finer_grid
|
| Uses a finer grid only to calculate the xc
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|