[Pw_forum] Error #17 in Convergence test of MoS2

[Sohail Ahmad]

I am trying to check the convergence test of the total energy of the system as a function of cut off energy for MoS2 as first step in QE calculation

My input file is attached, i am getting error # 17
I am new to QE,
Any help will be highly appreciated

This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please acknowledge
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from  read_namelists  : error #        17
      reading namelist system 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

&control
    calculation='scf',
    restart_mode='from_scratch',
    prefix='MoS2',
    pseudo_dir = '/home/sohail/espresso-4.2.1/pseudo/',
    outdir='./OUT'
 /
 &system
    ibrav = 4, celldm(1) = 3.16, celldm(3) = 3.89, nat=  6, ntyp= 2,
    ecutwfc = $i,
    ecutrho = 500,
    nbnd = 10,
    occupations='smearing', smearing=' gaussian', degauss=0.001,
    nspin=2,
    starting_magnetization(1)=0.5d0,
/
&electrons
    mixing_beta = 0.3
    conv_thr =  1.0d-9
 /
ATOMIC_SPECIES 
Mo   95.96   Mo.pw91-n-van.UPF
S    32.06   S.pw91-van_ak.UPF
ATOMIC_POSITIONS {crystal}
Mo  0.33333333  0.66666667  0.25000000
Mo  0.66666667  0.33333333  0.75000000
S   0.33333333  0.66666667  0.62000000
S   0.66666667  0.33333333  0.12000000
S   0.66666667  0.33333333 -0.62000000
S   0.33333333  0.66666667 -0.12000000
K_POINTS AUTOMATIC
4 4 4 1 1 1

Thanks
Sohail
KKU
Saudi Arabia

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