RUNOPT
LLOYD   NEWSOSOL...     ...     
TESTOPT
DOS     MPIatom 

ALATBASIS=        8.282600000000
BRAVAIS
       0.499999999877        0.288675134524        2.318599768200
      -0.499999999877        0.288675134524        2.318599768200
      -0.000000000000       -0.577350269047        2.318599768200
NAEZ= 10
CARTESIAN= True

<RBASIS>
       0.000000000000        0.000000000000        0.000000000000
      -0.000000000000        0.577350269047        6.111828988975
      -0.000000000000       -0.000000000000        5.481169852025
       0.499999999877        0.288675134524        5.100919490040
       0.499999999877        0.288675134524        6.492079350960
       0.000000000000        0.577350269047        5.332779466860
      -0.000000000000        0.000000000000        6.260219374140
       0.000000000000        0.577350269047        6.723939327780
      -0.000000000000        0.000000000000        4.869059513220
       0.499999999877        0.288675134524        5.796499420500

KSHAPE= 2
NSPIN= 2
<ZATOM>
      52.000000000000
      52.000000000000
      52.000000000000
      82.000000000000
      23.000000000000
       0.000000000000
       0.000000000000
       0.000000000000
       0.000000000000
       0.000000000000

NATYP= 10
LINIPOL= False
HFIELD=        0.000000000000
LMAX= 3
BZDIVIDE= 40 40 40

EMIN=       -0.800000000000
EMAX=        1.200000000000
TEMPR=      800.000000000000
NPT1= 5
NPT2= 50
NPT3= 3
NPOL= 5
RCLUSTZ=        1.600000000000
RCLUSTXY=        1.600000000000

INS= 1
R_LOG=        0.800000000000
NPAN_LOG= 17
NPAN_EQ= 7
NCHEB= 12
RMAX=        7.000000000000
GMAX=       65.000000000000

NSTEPS= 200
IMIX= 5
STRMIX=        0.010000000000
ITDBRY= 30
FCM=       20.000000000000
BRYMIX=        0.040000000000
QBOUND= 1.000000e-07

EFSET=        0.499145670900
