Index of /resources/pseudopotentials/Ga

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[TXT]README.html2006-04-13 17:51 2.3K 
[ ]ga_ca_ham.cpi2001-06-30 07:21 54K 
[ ]ga_ca_ham_nlcc.cpi2001-06-30 07:21 77K 
[DIR]ga_cgrad/2001-06-30 07:21 -  
[DIR]ga_dft++/2001-06-30 07:21 -  
Pseudopotential Repository

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

ga_ca_ham_nlcc.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