Index

B

BFTYPE command line option

boxhyd command line option

C

cal command line option chempot command line option CMPOT command line option command line option BFTYPE boxhyd cal chempot CMPOT DDEFECT DDNAME diff DPERFECT ECBM EMAX EMIN energy epsilon EPSILON EVBM ewald EWALD fixchg groupby ICCOEF NPTS PADIFF PENERGY PREFIX PVOLUME query replace VALENCE

D

DDEFECT command line option DDNAME command line option

diff command line option DPERFECT command line option

E

ECBM command line option EMAX command line option EMIN command line option energy command line option EPSILON command line option

epsilon command line option EVBM command line option EWALD command line option ewald command line option

F

fixchg command line option

G

groupby command line option

I

ICCOEF command line option

N

NPTS command line option

P

PADIFF command line option PENERGY command line option

PREFIX command line option PVOLUME command line option

Q

query command line option

R

replace command line option

V

VALENCE command line option