Back to the main page of this manual  Input reference of CP2K version 8.0 
CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
WF_CORRELATION /
IM_TIME
&IM_TIME {Logical} 

Activates cubicscaling RPA, GW and LaplaceSOSMP2 calculations. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one logical.  
The lone keyword behaves as a switch to
.TRUE. 

Default value:
.FALSE. 
CUTOFF_W {Real} 

Cutoff for screened Coulomb interaction for GW kpoints. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
5.00000000E001 
DO_KPOINTS {Logical} 

Besides in DFT, this keyword has to be switched on if one wants to do kpoints in. cubic RPA. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one logical.  
The lone keyword behaves as a switch to
.TRUE. 

Default value:
.FALSE. 
EPS_FILTER_FACTOR {Real} 

Multiply EPS_FILTER of WFC_GPW section with this factor to determine filter epsilon for DBCSR based multiply P(it)=(Mocc(it))^T*Mvirt(it) Default should be kept. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E+001 
EXP_KPOINTS {Real} 

For kpoints in lowscaling GW, a MonkhorstPack mesh is used. Because the screened Coulomb interaction W(k) diverges at the Gamma point with W(k) ~ k^alpha, we adapt the weights of the MonkhorstPack mesh to compute int_BZ k^alpha dk (BZ=Brllouin zone) correctly with the MonkhorstPack mesh. You can enter here the exponent alpha. For solids, the exponent is 2 (known from plane waves), for 2d periodic systems 1 and for 1d systems W(k) ~ log(1cos(a*k)) where a is the length of the unit cell in periodic direction. If you enter 1.0, one of these three functions are picked according to the periodicity. If you enter a value bigger than 2.0, the ordinary MonkhorstPack mesh with identical weights is chosen. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E+000 
KPOINTS {Integer} {Integer} {Integer} 

For periodic calculations, using kpoints for the density response and the Coulomb operator are strongly recommended. For 2d periodic systems (e.g. xy periodicity, please specify KPOINTS N_x 0 N_z. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely 3 integers.  
Default values:
0 0 0 
MAX_BLOCK_SIZE_SQRT {Integer} 

Square root of maximum block size for splitting blocks of matrix representation of large tensors along the combined dimension. Atomic blocks are split in order to allow for better load balance. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
10 
MEMORY_CUT {Integer} 

Cuts the memory of the M_munu_P^occ/virt matrix by the factor given. The calculation is slowed down when using a high value of MEMORY_CUT. A high value for MEMORY_CUT is recommended for large systems in order not to run out of memory. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
1 
MEMORY_INFO {Logical} 

Decide whether to print memory info on the sparse matrices. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one logical.  
The lone keyword behaves as a switch to
.TRUE. 

Default value:
.FALSE. 
POINTS_PER_MAGNITUDE {Integer} 

Number of evaluation points (x) of the function 2x/(x^2+omega^2) per order of magnitude of the range Rc. Normally, this parameter needs not to be touched. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
200 

Alias names for this keyword: PPM 
STABILIZE_EXP {Real} 

It is observed that EXP(alpha) gives NaN if alpha is larger than 100300. Using the STABILIZE_EXP keyword, all EXP(alpha) are not computed but set to zero for alpha > STABILIZE_EXP. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
7.00000000E+001 
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