Back to the main page of this manual  Input reference of CP2K version 9.0 
CP2K_INPUT /
FORCE_EVAL /
DFT /
KG_METHOD /
XC /
WF_CORRELATION /
LOW_SCALING
&LOW_SCALING {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 {Real} 

Determines a threshold for the DBCSR based multiply.Normally, this EPS_FILTER determines accuracy and timing of lowscaling RPA and GW calculations. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E009 
EPS_FILTER_FACTOR {Real} 

Multiply EPS_FILTER 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 
EPS_STORAGE_SCALING {Real} 

Scaling factor to scale EPS_FILTER. Storage threshold for compression will be EPS_FILTER*EPS_STORAGE_SCALING. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one real.  
Default value:
1.00000000E003 

Alias names for this keyword: EPS_STORAGE 
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 
MEMORY_CUT {Integer} 

Reduces memory for sparse tensor contractions by this factor. A high value leads to some loss of performance. This memory reduction factor applies to storage of the tensors 'M occ' / 'M virt' but does not reduce storage of '3c ints'. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
5 
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. 
MIN_BLOCK_SIZE {Integer} 

Minimum tensor block size. Adjusting this value may have minor effect on performance but default should be good enough. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
5 
MIN_BLOCK_SIZE_MO {Integer} 

Tensor block size for MOs. Only relevant for GW calculations. The memory consumption of GW scales as O(MIN_BLOCK_SIZE_MO). It is recommended to set this parameter to a smaller number if GW runs out of memory. Otherwise the default should not be changed. [Edit on GitHub]  
This keyword cannot be repeated and it expects precisely one integer.  
Default value:
64 
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