| Back to the main page of this manual | Input reference of CP2K version 2.4.0 (Revision 12993) |
| AVEALPHA <REAL> | |
| ALPHA cell angle average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEBETA <REAL> | |
| BETA cell angle average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVECELL_A <REAL> | |
| CELL VECTOR A average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVECELL_B <REAL> | |
| CELL VECTOR B average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVECELL_C <REAL> | |
| CELL VECTOR C average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVECPU <REAL> | |
| CPU average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEGAMMA <REAL> | |
| GAMMA cell angle average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEHUGONIOT <REAL> | |
| HUGONIOT average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEKIN <REAL> | |
| KINETIC ENERGY average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEKIN_QM <REAL> | |
| QM KINETIC ENERGY average in QMMM runs | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEPOT <REAL> | |
| POTENTIAL ENERGY average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVETEMP <REAL> | |
| TEMPERATURE average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVETEMP_BARO <REAL> | |
| BAROSTAT TEMPERATURE average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVETEMP_QM <REAL> | |
| QM TEMPERATURE average in QMMM runs | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVEVOL <REAL> | |
| VOLUME average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVE_COLVARS <REAL> .. <REAL> | |
| COLVARS averages | |
| This optional keyword cannot be repeated and it expects a list of reals. |
| AVE_ECONS <REAL> | |
| CONSTANT ENERGY average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVE_MMATRIX <REAL> .. <REAL> | |
| METRIC TENSOR averages | |
| This optional keyword cannot be repeated and it expects a list of reals. |
| AVE_PRESS <REAL> | |
| PRESSURE average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| AVE_PV_CNSTR <REAL> .. <REAL> | |
| PV CONSTRAINTS average | |
| This optional keyword cannot be repeated and it expects precisely 9 reals. |
| AVE_PV_FOCK_4C <REAL> .. <REAL> | |
| PV XC average | |
| This optional keyword cannot be repeated and it expects precisely 9 reals. |
| AVE_PV_KIN <REAL> .. <REAL> | |
| PV KINETIC average | |
| This optional keyword cannot be repeated and it expects precisely 9 reals. |
| AVE_PV_TOT <REAL> .. <REAL> | |
| PV TOTAL average | |
| This optional keyword cannot be repeated and it expects precisely 9 reals. |
| AVE_PV_VIR <REAL> .. <REAL> | |
| PV VIRIAL average | |
| This optional keyword cannot be repeated and it expects precisely 9 reals. |
| AVE_PV_XC <REAL> .. <REAL> | |
| PV XC average | |
| This optional keyword cannot be repeated and it expects precisely 9 reals. |
| AVE_PXX <REAL> | |
| P_{XX} average | |
| This optional keyword cannot be repeated and it expects precisely one real. |
| ITIMES_START <INTEGER> | |
| TIME STEP starting the evaluation of averages | |
| This optional 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: 19.6.2013) |