Commit c39af793 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
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add several test cases. Examples provided by Andrea Droghetti

parent 0a1cd99c
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-465.326287423739
The above number is the electronic (free)energy: -465.626322321528
Plus the pressure : 1.359545368028931E-005 ( 0.200000000000000 GPa)
times the orbital volume (in Bohr**3): 1622.01170618348
-465.326287423756
The above number is the electronic (free) harris energy:
-465.626322321545
Plus the pressure : 1.359545368028931E-005 ( 0.200000000000000 GPa)
times the orbital volume (in Bohr**3): 1622.01170618348
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