You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
|
-2878.0654643176349
|
|
The above number is the electronic (free) harris energy: -2887.7689582280768
|
|
Plus the pressure : 1.3595453680289311E-005 ( 0.20000000000000001 GPa)
|
|
times the orbital volume (in Bohr**3): 52457.833503994734
|
