as_ca_bhs.cpi

Creator	XC	type	nlcc	cutoff-radii [A]	local-component
Nikolaj Moll	Ceperley-Alder	BHS	no	--- --- ---	d

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as_ca_ham.cpi

Creator	XC	type	nlcc	cutoff-radii [A]	local-component
Nikolaj Moll	Ceperley-Alder	Hamann	no	0.61 0.60 1.07	d

 

Bulk	Author	Cutoff	lattice parameters [A]	bulk-modulus [GPa]	Cohesive Energy [eV/Atom]
As	Nikolaj Moll	10	4.04	---	3.80
GaAs	Nikolaj Moll	10	5.56	75	3.91
InAs	Nikolaj Moll	10	6.00	57	3.63

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J. D. Joannopoulos
Ab Initio Physics
Research Group at MIT