Back to the main page of this manual | Input reference of CP2K version 8.1 |
CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
TDDFPT /
XC /
WF_CORRELATION /
INTEGRALS /
INTERACTION_POTENTIAL
OMEGA {Real} |
|
Range separation parameter for the longrange potential. Only valid when longrange potential is requested. | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.00000000E-001 |
POTENTIAL_TYPE {Keyword} |
|
Which interaction potential should be used (Coulomb, TShPSC operator). | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
COULOMB |
|
List of valid keywords:
|
TRUNCATION_RADIUS {Real} |
|
Determines truncation radius for the truncated TShPSC potential. Only valid when doing truncated calculation | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
5.29177209E+000 |
|
Default unit:
[angstrom]
|
TSHPSC_DATA {Word} |
|
Location of the file TShPSC.dat that contains the data for the evaluation of the TShPSC G0 | |
This keyword cannot be repeated and it expects precisely one word. | |
Default value:
t_sh_p_s_c.dat |
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