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Index

a1
The input file inp.ini
a2
The input file inp.ini
a3
The input file inp.ini
alat
The input file inp.ini
ampre
The input files inp.mod start.inp
amprp
The input files inp.mod start.inp
atom
The input files inp.mod start.inp
atoms
The program structure
movement of
The program structure
number of
The input file inp.ini | Total Energy Minimization Schemes | Total Energy Minimization Schemes
b1
The input file inp.ini
b2
The input file inp.ini
b3
The input file inp.ini
Brillouin zone
Choice of the k-point to Choice of the k-point | How to set up
integrals in
Choice of the k-point
symmetry lines in
How to set up
broyd
The program structure
celldm
The input files inp.mod start.inp
constraints.ini
How to set up
constrw
How to set up
coordwave
The input files inp.mod start.inp | How to set up
delt
The input files inp.mod start.inp
delt2
The input files inp.mod start.inp
delt_ion
The input files inp.mod start.inp
dforce_b
The program structure
ecut
The input files inp.mod start.inp
ecuti
The input files inp.mod start.inp
ekt
The input files inp.mod start.inp
energy
The output files
eps_chg_dlt
The input files inp.mod start.inp
epsekinc
The input files inp.mod start.inp
epsel
The input files inp.mod start.inp
epsfor
The input files inp.mod start.inp | How to set up
fermi
The program structure
fhi98md
Introduction
'tiling' strategy in
Choice of the k-point
algorithms used in
The program structure
structure of the program
The program structure
fhi98pp package
Pseudopotential file(s)
fhi98start
Introduction | The input files inp.mod start.inp | How to set up
fiondyn
The program structure | The program structure
fionsc
The program structure | How to set up
force_eps(1)
The input files inp.mod start.inp | How to set up
force_eps(2)
The input files inp.mod start.inp
fort.1
The output files
fort.20
The program structure | How to set up
fort.21
The output files | How to set up
fort.3
How to set up
fort.6
Pseudopotential file(s) | The output files
fort.70
The input files inp.mod start.inp
fort.71
The output files | How to set up
fort.72
The program structure | The output files | How to set up | How to set up
fort.73
The output files
fort.74
The output files
fort.80
The output files
gamma
The input files inp.mod start.inp
gamma2
The input files inp.mod start.inp
i_edyn
The input files inp.mod start.inp
i_facs
The input files inp.mod start.inp | How to set up
i_xc
The input files inp.mod start.inp
iatm
How to set up
ibrav
The input files inp.mod start.inp
idyn
The input files inp.mod start.inp
ineq_pos
The input file inp.ini
init_basis
The input files inp.mod start.inp
initbasis
The input files inp.mod start.inp
initialization
The program structure | The input file inp.ini
block
The program structure
mixed-basis-set
The program structure
inp.ini
The program structure | The input file inp.ini | Choice of the k-point | How to set up
inp.mod
The program structure | The input files inp.mod start.inp | Total Energy Minimization Schemes | How to set up
ion_damp
The input files inp.mod start.inp | How to set up
ion_fac
The input files inp.mod start.inp | How to set up
iprint
The input files inp.mod start.inp | How to set up
l_loc
The input files inp.mod start.inp | Pseudopotential file(s)
latgen
How to set up
lmax
The input files inp.mod start.inp | Pseudopotential file(s)
max_basis_n
The input file inp.ini
max_no_force
The input files inp.mod start.inp | How to set up
mesh
The input file inp.ini
Chadi-Cohen
Choice of the k-point
Fourier
The input file inp.ini
k-point
Choice of the k-point to Choice of the k-point
Monkhorst-Pack
Choice of the k-point | Total Energy Minimization Schemes | Total Energy Minimization Schemes
mesh_accuracy
The input files inp.mod start.inp
minpes
The input files inp.mod start.inp
mmaxx
The input file inp.ini
n_fft_store
The input file inp.ini
na
The input files inp.mod start.inp
natm
How to set up
nax
The input file inp.ini
nbeg
The input files inp.mod start.inp | How to set up
nconstr
How to set up
nel
The input file inp.ini
nel_exc
The input files inp.mod start.inp
nempty
The input files inp.mod start.inp | The input file inp.occ | How to set up
nfi_rescale
The input files inp.mod start.inp
ngrpx
The input files inp.mod start.inp
ngwix
The input file inp.ini
ngwx
The input file inp.ini
nkpt
The input files inp.mod start.inp
nlmax
The input file inp.ini
nlmax_init
The input file inp.ini
nlrhkb_b
The program structure
nnrx
The input file inp.ini
nomore
The input files inp.mod start.inp | Runtime control files
nomore_init
The input files inp.mod start.inp
nOrder
The input files inp.mod start.inp
npes
The input files inp.mod start.inp
npos
The input files inp.mod start.inp
nr_constraints
How to set up
nrho
The input files inp.mod start.inp | The input files inp.mod start.inp | How to set up | How to set up
nrot
The input file inp.ini
nrx
The input file inp.ini
nschltz
The input file inp.ini
nseed
The input files inp.mod start.inp
nsp
The input files inp.mod start.inp | Pseudopotential file(s)
nstepe
The input files inp.mod start.inp | How to set up
nsx
The input file inp.ini
nthm
The input files inp.mod start.inp
nx
The input file inp.ini | The input file inp.occ
nx_basis
The input file inp.ini
nx_init
The input file inp.ini
o_wave
The program structure
omega
The input file inp.ini
pfft_store
The input files inp.mod start.inp
pgind
The input files inp.mod start.inp
pgsym
How to set up
project
The program structure
pseudopotentials
Introduction | The input file inp.ini | Pseudopotential file(s)
format of file(s)
Pseudopotential file(s)
ionic
Pseudopotential file(s)
psgen tool
Pseudopotential file(s)
Q
The input files inp.mod start.inp
report.txt
The output files
rho_psi
The program structure
rhoz
The output files
run
Introduction
band structure
How to set up | How to set up | How to set up | How to set up
continuation
Runtime control files | How to set up | How to set up
for a MD simulation
How to set up
with increased k-point set
How to set up
structural relaxation
How to set up
s(3,3)
The input file inp.ini
start.inp
The input files inp.mod start.inp | The input files inp.mod start.inp | How to set up | How to set up | How to set up
start.out
How to set up | Choice of the k-point
status.txt
The output files
stopfile
The program structure | Runtime control files
stopprogram
The program structure | Runtime control files
t_coord_auto
The input file inp.ini
T_init
The input files inp.mod start.inp
t_init_basis
The input files inp.mod start.inp
T_ion
The input files inp.mod start.inp
t_kpoint_rel
The input files inp.mod start.inp | How to set up
t_postc
The input files inp.mod start.inp
tau0
The input files inp.mod start.inp | How to set up | How to set up
tband
The input files inp.mod start.inp
tdegen
The input files inp.mod start.inp | The input file inp.occ
tdipol
The input files inp.mod start.inp
tdyn
The input files inp.mod start.inp | How to set up
tfor
The input files inp.mod start.inp | The input files inp.mod start.inp | How to set up
tford
How to set up
timequeue
The input files inp.mod start.inp
tmetal
The input files inp.mod start.inp
tmold
The input files inp.mod start.inp
tpsmesh
The input files inp.mod start.inp | Pseudopotential file(s) | Pseudopotential file(s)
trane
The input files inp.mod start.inp | The input files inp.mod start.inp
tranp
The input files inp.mod start.inp
tsdp
The input files inp.mod start.inp | The input files inp.mod start.inp | How to set up
vau0
The input files inp.mod start.inp
vec
How to set up
vofrho
The program structure | The program structure
wkpt
The input files inp.mod start.inp
xk
The input files inp.mod start.inp | How to set up
zv
The input files inp.mod start.inp | Pseudopotential file(s)


Matthias Wittenberg
1999-08-06