Index of /resources/pseudopotentials/Si

[ICO]NameLast modifiedSizeDescription

[PARENTDIR]Parent Directory  -  
[TXT]README.html2006-04-13 17:51 1.5K 
[   ]SI.FLQ2001-06-30 07:21 48K 
[TXT]SI.POT2001-06-30 07:21 36K 
[   ]Si.GGA_PW91.cpi2001-06-30 07:21 99K 
[   ]loc.1002.02_new2001-06-30 07:21 43K 
[TXT]nl.d.501.02_new2001-06-30 07:21 22K 
[TXT]nl.p.501.02_new2001-06-30 07:21 22K 
[   ]si.cpi2001-06-30 07:21 68K 
[   ]si_a_gga.cpi2001-06-30 07:21 62K 
[   ]si_bhs.cpi2001-06-30 07:21 50K 
[   ]si_bp_gga.cpi2001-06-30 07:21 65K 
[TXT]si_loconly.pot2001-06-30 07:21 796  
[TXT]si_new.pot2001-06-30 07:21 893  
[   ]si_nl_bp.cpi2001-06-30 07:21 90K 
[   ]si_nl_gga.cpi2001-06-30 07:21 87K 
[   ]si_nl_lda.cpi2001-06-30 07:21 89K 
[TXT]si_old.pot2001-06-30 07:21 796  

Pseudopotential Repository

si.cpi

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

 
Bulk
Author
Cutoff [Ry]
lattice parameters [bohr]
bulk-modulus [GPa]
Cohesive Energy [eV/Atom]
Si (diamond)
Tairan Wang
20
10.174
95
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JDJ Logo
J. D. Joannopoulos
Ab Initio Physics
Research Group at MIT