in_ca_bhs.cpi

Creator	XC	type	nlcc	cutoff-radii [A]	local-component
Nikolaj Moll	Ceperley-Alder	BHS	no	0.71 0.79 1.16	d

 

Bulk	Author	Cutoff	lattice parameters [A]	bulk-modulus [GPa]	Cohesive Energy [eV/Atom]
In	Nikolaj Moll	10	4.36	---	3.03
InP	Nikolaj Moll	10	5.81	71	3.90
InAs	Nikolaj Moll	10	6.00	57	3.63

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in_ca_bhs_nlcc.cpi

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

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in_ca_ham.cpi

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

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in_ca_bhs.cpi

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

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