[QE-users] vc relax calculation not giving desired results

[naval singh]

Hello sir/madam,i am new to  dft calculation and i am facing this problem during relaxing my structure i am doing a vc-relax calculation of a 2d monolayer and trying to optimise for further calculation but the layer gets broken and the cell expands leading to failure 

&CONTROL
  calculation = 'vc-relax'
  etot_conv_thr =   1.0000000000d-05
  forc_conv_thr =   1.0000000000d-03
  outdir = './output/'
  prefix = 'B12borophene'
  pseudo_dir = '.'
  tprnfor = .true.
  tstress = .true.
  verbosity = 'high'
/
&SYSTEM
  degauss =   0.01
  ecutrho =   350
  ecutwfc =   35
  ibrav = 0
  nat = 40

  ntyp = 1
  occupations = 'smearing'
  smearing = 'gaussian'
input_dft='gga-pbe'
/
&ELECTRONS

  electron_maxstep = 80
  mixing_beta =   4.0000000000d-01
/
&IONS
    ion_dynamics = "bfgs"
/

&CELL
cell_dofree='2Dxy'
    cell_dynamics  = "bfgs"
    press_conv_thr =  5.00000e-01
/

ATOMIC_SPECIES
B      10.811 B.pbe-n-kjpaw_psl.1.0.0.UPF
ATOMIC_POSITIONS angstrom
B       1.399884   1.668419   7.506350
B       1.399884   6.742069   7.506350
B       4.329994   1.668419   7.506350
B       4.329994   6.742069   7.506350
B       1.399884   3.403404   7.506350
B       1.399884   8.477054   7.506350
B       4.329994   3.403404   7.506350
B       4.329994   8.477054   7.506350
B       2.864939   2.535861   7.506350
B       2.864939   7.609521   7.506350
B       5.795049   2.535861   7.506350
B       5.795049   7.609521   7.506350
B       2.864939   4.250055   7.506350
B       2.864939   9.323705   7.506350
B       5.795049   4.250055   7.506350
B       5.795049   9.323705   7.506350
B       2.864939   0.821693   7.506350
B       2.864939   5.895348   7.506350
B       5.795049   0.821693   7.506350
B       5.795049   5.895348   7.506350
B       7.260104   1.668419   7.506350
B       7.260104   6.742069   7.506350
B      10.190214   1.668419   7.506350
B      10.190214   6.742069   7.506350
B       7.260104   3.403404   7.506350
B       7.260104   8.477054   7.506350
B      10.190214   3.403404   7.506350
B      10.190214   8.477054   7.506350
B       8.725159   2.535861   7.506350
B       8.725159   7.609521   7.506350
B      11.655269   2.535861   7.506350
B      11.655269   7.609521   7.506350
B       8.725159   4.250055   7.506350
B       8.725159   9.323705   7.506350
B      11.655269   4.250055   7.506350
B      11.655269   9.323705   7.506350
B       8.725159   0.821693   7.506350
B       8.725159   5.895348   7.506350
B      11.655269   0.821693   7.506350
B      11.655269   5.895348   7.506350

 
K_POINTS automatic
4 4 1 0 0 0
CELL_PARAMETERS angstrom
   11.720400   0.000000   0.000000
  0.000000  10.147300   0.000000
  0.000000   0.000000  15.012700

this is the input file i am making and when i am trying to just simply relax it gives error in viewing in xrysden 
child process exited abnormally 

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