Index of /resources/pseudopotentials/P

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[TXT]README.html2006-04-13 17:51 2.3K 
[ ]p_ca_bhs.cpi2001-06-30 07:21 100K 
[ ]p_ca_ham.cpi2001-06-30 07:21 50K 
[DIR]p_cgrad/2001-06-30 07:21 -  
[DIR]p_dft++/2001-06-30 07:21 -  
Pseudopotential Repository

p_ca_bhs.cpi

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

p_ca_ham.cpi

Creator
XC
type
nlcc
cutoff-radii [A]
local-component
FHI
Ceperley-Alder
Hamann
no
0.49 0.64 0.64
d

 
Bulk
Author
Cutoff
lattice parameters [A]
bulk-modulus [GPa]
Cohesive Energy [eV/Atom]
P (black)
Nikolaj Moll
10
3.30
---
4.10
InP
Nikolaj Moll
10
5.81
71
3.90

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