Index of /resources/pseudopotentials/Al

[ICO]NameLast modifiedSizeDescription
[PARENTDIR]Parent Directory  -  
[TXT]README.html2006-04-13 17:51 2.5K 
[ ]al_alex.cpi2001-06-30 07:20 104K 
[ ]al.cpi2001-06-30 07:20 104K 
Pseudopotential Repository

al.cpi
Creator
XC
type
nlcc
cutoff-radii [A]
local-component
FHI
Ceperley-Alder
Hamann
no
-?-
d

 
al_alex.cpi
Creator
XC
type
nlcc
cutoff-radii [A]
local-component
FHI
Ceperley-Alder
Hamann
no
-?-
d

 
Bulk
Author
Cutoff [Ry]
lattice parameters [bohr]
bulk-modulus [GPa]
Cohesive Energy [eV/Atom]
AlP
Tairan Wang
20
10.233
88
---
AlAs
Tairan Wang
20
10.598
75
---
AlSb
Tairan Wang
20
11.496
57
---

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