&CONTROL
 calculation='nscf'
 verbosity='high'
 restart_mode='from_scratch'
 outdir='./'
 prefix='RuO2'
 pseudo_dir='./'
/
&SYSTEM
 ibrav=0  !9
! celldm(1)=12.19833606051035881438
! celldm(2)=    0.99950812963586
! celldm(3)=0.45647640501156555963
 nat=6
 ntyp=2
 nbnd=80
 ecutwfc=160.0
 occupations='smearing'
 smearing='mp' 
 degauss=0.02
 nosym=.true.
/
&ELECTRONS
 diagonalization='david'
 conv_thr = 1.0e-10
 diago_full_acc=.true.
 mixing_beta=0.3
/
ATOMIC_SPECIES
Ru 101.07   ru.upf
O   15.9994 o.upf
CELL_PARAMETERS bohr
 6.099168000000  6.096167209344  0.000000000000
-6.099168000000  6.096167209344  0.000000000000
 0.000000000000  0.000000000000  5.568247623936
ATOMIC_POSITIONS crystal
Ru       0.000000000   0.000000000   0.000000000
Ru       0.500000000   0.500000000   0.500000000
O        0.299591142   0.299591142   0.000000000
O        0.700408858   0.700408858   0.000000000
O        0.200438406   0.799561594   0.500000000
O        0.799561594   0.200438406   0.500000000
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        6144
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