Index of /resources/pseudopotentials/In

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[TXT]README.html2006-04-13 17:51 3.6K 
[ ]in_ca_bhs.cpi2001-06-30 07:21 56K 
[ ]in_ca_bhs_nlcc.cpi2001-06-30 07:21 164K 
[ ]in_ca_ham.cpi2001-06-30 07:21 56K 
[ ]in_ca_ham_nlcc.cpi2001-06-30 07:21 79K 
Pseudopotential Repository

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