Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
LINRES /
EPR /
PRINT /
G_TENSOR /
XC /
HF /
INTERACTION_POTENTIAL
CUTOFF_RADIUS {Real} |
|
Determines cutoff radius for the truncated 1/r potential. Only valid when doing truncated calculation | |
This keyword cannot be repeated and it expects precisely one real. | |
Default unit:
[angstrom]
|
OMEGA {Real} |
|
Parameter for short/longrange interaction | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
0.00000000E+000 |
POTENTIAL_TYPE {Keyword} |
|
Which interaction potential should be used (Coulomb, longrange or shortrange). | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
COULOMB |
|
List of valid keywords:
|
SCALE_COULOMB {Real} |
|
Scales Hartree-Fock contribution arising from a coulomb potential. Only valid when doing a mixed potential calculation | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
SCALE_GAUSSIAN {Real} |
|
Scales Hartree-Fock contribution arising from a gaussian potential. Only valid when doing a mixed potential calculation | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
SCALE_LONGRANGE {Real} |
|
Scales Hartree-Fock contribution arising from a longrange potential. Only valid when doing a mixed potential calculation | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
T_C_G_DATA {Word} |
|
Location of the file t_c_g.dat that contains the data for the evaluation of the truncated gamma function | |
This keyword cannot be repeated and it expects precisely one word. | |
Default value:
t_c_g.dat |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2021) |