Parameters for calculating totalEnergy¶
Parameters here are for total energy calculations.
calculation.totalEnergy.decomposed¶
key word |
: |
calculation.totalEnergy.decomposed |
possible values |
: |
1, true, 0, false |
default value |
: |
false |
description |
: |
If true, the total energy will be decomposed into |
several terms and the value of each term is given. If |
||
false, only the total energy is given. |
||
an example |
: |
calculation.totalEnergy.decomposed = true |
calculation.totalEnergy.plot¶
key word |
: |
calculation.totalEnergy.plot |
possible values |
: |
true or false |
default value |
: |
false |
description |
: |
If true, a plot will be given after the calculation. |
an example |
: |
calculation.totalEnergy.plot = true |