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System = Bi2Te3-prim

### Start parameters
ISTART = 0     #0 start a new computation, no WAVECAR file -- default 1
ICHARG = 11    #initial charge densities from atoms

### Electronic Relaxation
ENCUT = 400
LREAL = False   #projection done in real space
EDIFF = 1.0E-4 #Default 1.0E-4
IALGO = 48     #RMM-DIIS algorithm for electrons
NELMIN = 4     #default 2; do a minimum of four electronic steps
NELM = 100     #default 60; maximum number of electronic SC (selfconsistency) steps
#NELMDL = -5    #number ofnon-selfconsistent steps at the beginning
ISYM=-1
LNONCOLLINEAR = .TRUE
LSORBIT=.TRUE.

### Ionic relaxation
EDIFFG = -0.01 #Default EDIFF*10
#NSW = 300      #default 0
#IBRION = 2     #use CG algorithm
#ISIF = 3       #
POTIM = 0.1    #default 0.5; time-step for ion-motion

### DOS related values
ISMEAR = -5      #method to determine partial occupancies¡ê?-5 for semiconductor and non-metal 1 for metal
SIGMA = 0.1      #broadening in eV
NEDOS = 1505     #number of grid points in DOS
EMIN = -10       #minimum energy for evaluation of DOS
EMAX = 15        #maximum energy for evaluation of DOS
#WIGS = 1.286  0.900    #? or RWIGS
LORBIT = 11            #?

### BANDS related values
#NBANDS = 504     #number of occupied bands

### others
PREC = Medium
ISPIN  =  2  #2 allow for spin polarisation -- 1 or 2
VOSKOWN = 1
GGA = PE
NPAR = 8

### Output control
LWAVE = T
LCHARG = T
LAECHG = T
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