c.cpi
Creator
type
local-component
cutoff-radii [bohr]
nlcc
XC-ype
FHI
Hamann
d
0.5 0.5 0.5
no
Ceperely-Alder
Bulk
Author
Cutoff
lattice parameters
bulk-modulus
Cohesive Energy
Al
Tairan Wang
10
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AlAs
Tairan Wang
10
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Molecule Cutoff bondlengths Cohesive Energy
J. D. Joannopoulos
Ab Initio Physics
Research Group at MIT
