Index of /resources/pseudopotentials/As

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[DIR]as_dft++/2001-06-30 07:20 -  
[DIR]as_cgrad/2001-06-30 07:20 -  
[ ]as_ca_ham.cpi2001-06-30 07:20 55K 
[ ]as_ca_bhs.cpi2001-06-30 07:20 54K 
[TXT]README.html2006-04-13 17:51 2.5K 
Pseudopotential Repository

as_ca_bhs.cpi

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

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

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