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


in_ca_bhs_nlcc.cpi

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


in_ca_ham.cpi

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


in_ca_bhs.cpi

Creator
XC
type
nlcc
cutoff-radii [A]
local-component
FHI
Ceperley-Alder
Hamann
yes
--- --- ---
d
JDJ Logo
J. D. Joannopoulos
Ab Initio Physics
Research Group at MIT