Back to the main page of this manual  Input reference of CP2K version 2023.1 
CP2K_INPUT /
MOTION /
MD /
AVERAGES /
RESTART_AVERAGES
AVEALPHA {Real} 

ALPHA cell angle average  
This keyword cannot be repeated and it expects precisely one real. 
AVEBETA {Real} 

BETA cell angle average  
This keyword cannot be repeated and it expects precisely one real. 
AVECELL_A {Real} 

CELL VECTOR A average  
This keyword cannot be repeated and it expects precisely one real. 
AVECELL_B {Real} 

CELL VECTOR B average  
This keyword cannot be repeated and it expects precisely one real. 
AVECELL_C {Real} 

CELL VECTOR C average  
This keyword cannot be repeated and it expects precisely one real. 
AVECPU {Real} 

CPU average  
This keyword cannot be repeated and it expects precisely one real. 
AVEGAMMA {Real} 

GAMMA cell angle average  
This keyword cannot be repeated and it expects precisely one real. 
AVEHUGONIOT {Real} 

HUGONIOT average  
This keyword cannot be repeated and it expects precisely one real. 
AVEKIN {Real} 

KINETIC ENERGY average  
This keyword cannot be repeated and it expects precisely one real. 
AVEKIN_QM {Real} 

QM KINETIC ENERGY average in QMMM runs  
This keyword cannot be repeated and it expects precisely one real. 
AVEPOT {Real} 

POTENTIAL ENERGY average  
This keyword cannot be repeated and it expects precisely one real. 
AVETEMP {Real} 

TEMPERATURE average  
This keyword cannot be repeated and it expects precisely one real. 
AVETEMP_BARO {Real} 

BAROSTAT TEMPERATURE average  
This keyword cannot be repeated and it expects precisely one real. 
AVETEMP_QM {Real} 

QM TEMPERATURE average in QMMM runs  
This keyword cannot be repeated and it expects precisely one real. 
AVEVOL {Real} 

VOLUME average  
This keyword cannot be repeated and it expects precisely one real. 
AVE_COLVARS {Real} ... 

COLVARS averages  
This keyword cannot be repeated and it expects a list of reals. 
AVE_ECONS {Real} 

CONSTANT ENERGY average  
This keyword cannot be repeated and it expects precisely one real. 
AVE_MMATRIX {Real} ... 

METRIC TENSOR averages  
This keyword cannot be repeated and it expects a list of reals. 
AVE_PRESS {Real} 

PRESSURE average  
This keyword cannot be repeated and it expects precisely one real. 
AVE_PV_CNSTR {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} 

PV CONSTRAINTS average  
This keyword cannot be repeated and it expects precisely 9 reals. 
AVE_PV_FOCK_4C {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} 

PV XC average  
This keyword cannot be repeated and it expects precisely 9 reals. 
AVE_PV_KIN {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} 

PV KINETIC average  
This keyword cannot be repeated and it expects precisely 9 reals. 
AVE_PV_TOT {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} 

PV TOTAL average  
This keyword cannot be repeated and it expects precisely 9 reals. 
AVE_PV_VIR {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} 

PV VIRIAL average  
This keyword cannot be repeated and it expects precisely 9 reals. 
AVE_PV_XC {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} {Real} 

PV XC average  
This keyword cannot be repeated and it expects precisely 9 reals. 
AVE_PXX {Real} 

P_{XX} average  
This keyword cannot be repeated and it expects precisely one real. 
ITIMES_START {Integer} 

TIME STEP starting the evaluation of averages  
This keyword cannot be repeated and it expects precisely one integer. 
Back to the main page of this manual or the CP2K home page  (Last update: 31.12.2022) 