ga_ca_ham.cpi

Creator	XC	type	nlcc	cutoff-radii [A]	local-component
FHI	Ceperley-Alder	Hamann	no	0.58 0.77 1.16	d

 

Bulk	Author	Cutoff	lattice parameters [A]	bulk-modulus [GPa]	Cohesive Energy [eV/Atom]
Ga	Nikolaj Moll	10	4.36	---	3.37
GaAs	Nikolaj Moll	10	5.56	75	3.91

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ga_ca_ham_nlcc.cpi

Creator	XC	type	nlcc	cutoff-radii [A]	local-component
FHI	Ceperley-Alder	Hamann	yes	--- --- ---	d

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