Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
DFT /
TDDFPT /
XC /
WF_CORRELATION /
RI_RPA /
GW /
BSE
MAX_ITER {Integer} |
|
Maximum number of iterations for determining the transition energies. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
200 |
NUM_Z_VECTORS {Integer} |
|
Number Z vectors used in the subspace iterations. This is a convergence parameter: Increasing NUM_Z_VECTORS should keep the result constant in case of convergence,. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
20 |
THRESHOLD_MIN_TRANS {Real} |
|
Threshold for stopping the iteration for computing the transition energies. If the lowest excitation changes by less than THRESHOLD_MIN_TRANS (in eV), the ierationstops. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-003 |
|
Alias names for this keyword: EPS |
Back to the main page of this manual or the CP2K home page | (Last update: 8.6.2023) |