Back to the main page of this manual  Input reference of CP2K version 8.0 
CP2K_INPUT /
ATOM /
METHOD /
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:
1.00000000E003 

Alias names for this keyword: EPS 
Back to the main page of this manual or the CP2K home page  (Last update: 30.12.2020) 