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[nipesh dulal]

Hello Everyone

I have calculated the ground state energy of Sodium Atom. The final result
is -92.3063689424Ry. I have use below input file. Is it correct?

 &control
    calculation='relax',
    verbosity='high'
    prefix='sodiumrelax'
    outdir='/home/quantumespresso/Downloads/graphene/adsorption'
    pseudo_dir =
'/home/quantumespresso/Downloads/graphene/pseudopotentials',
    tprnfor=.true.
    forc_conv_thr=1.0d-3
    tstress=.true.
    etot_conv_thr=1.0d-4


 /
 &SYSTEM
 ibrav=3
 celldm(1)=8.906
 nat=1
 ntyp=1
 ecutwfc=35
 occupations='smearing'
 smearing='mv'
 nbnd =12
 degauss=0.002
 /
 &ELECTRONS
 electron_maxstep = 100
 mixing_beta=0.6
 conv_thr = 1.0D-8
 /
 &ions
 /
 ATOMIC_SPECIES
 Na 23.0 Na.pbe-spn-rrkjus_psl.0.2.UPF
ATOMIC_POSITIONS (angstrom)
 Na 0.000000000 0.000000000 0.0000000

 K_POINTS {automatic}
 8 8 1 0 0 0


With Best Regards
NIpesh Dulal
Kathmandu,Nepal
Trihbhuwan university
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