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CP2K_INPUT /
ATOM /
METHOD /
XC /
XC_FUNCTIONAL /
MGGA_X_TAU_HCTH&MGGA_X_TAU_HCTH {Logical} |
|
| Activates the functional. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to
.TRUE. |
|
Default value:
.FALSE. |
SCALE {Real} |
|
| Scales this functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_CXL0 {Real} |
|
| Local exchange, u^0 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.10734000E+000 |
_CXL1 {Real} |
|
| Local exchange, u^1 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-1.05340000E+000 |
_CXL2 {Real} |
|
| Local exchange, u^2 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.34910000E+000 |
_CXL3 {Real} |
|
| Local exchange, u^3 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-2.55310000E+000 |
_CXNL0 {Real} |
|
| Non-local exchange, u^0 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.10000000E-003 |
_CXNL1 {Real} |
|
| Non-local exchange, u^1 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-3.04100000E-001 |
_CXNL2 {Real} |
|
| Non-local exchange, u^2 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.95430000E+000 |
_CXNL3 {Real} |
|
| Non-local exchange, u^3 coefficient | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
-7.23500000E-001 |
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