<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">I am trying to check the <span style="font-style: italic; text-decoration: underline;">convergence test</span> of the total energy of the system as a function of cut off energy for <span style="text-decoration: underline;">MoS2 as first step in QE calculation</span><br><br>My input file is attached, i am getting error # 17<br>I am new to QE,<br>Any help will be highly appreciated<br><br>This program is part of the open-source Quantum ESPRESSO suite<br>     for quantum simulation of materials; please acknowledge<br>         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>          URL http://www.quantum-espresso.org", <br>     in publications or presentations arising from this work. More details
 at<br>     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO<br><br>     Current dimensions of program PWSCF are:<br>     Max number of different atomic species (ntypx) = 10<br>     Max number of k-points (npk) =  40000<br>     Max angular momentum in pseudopotentials (lmaxx) =  3<br>     Waiting for input...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     from  read_namelists  : error #        17<br>      reading namelist system <br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br><br>&control<br>    calculation='scf',<br>   
 restart_mode='from_scratch',<br>    prefix='MoS2',<br>    pseudo_dir = '/home/sohail/espresso-4.2.1/pseudo/',<br>    outdir='./OUT'<br> /<br> &system<br>    ibrav = 4, celldm(1) = 3.16, celldm(3) = 3.89, nat=  6, ntyp= 2,<br>    ecutwfc = $i,<br>    ecutrho = 500,<br>    nbnd = 10,<br>    occupations='smearing', smearing=' gaussian', degauss=0.001,<br>    nspin=2,<br>    starting_magnetization(1)=0.5d0,<br>/<br>&electrons<br>    mixing_beta = 0.3<br>    conv_thr =  1.0d-9<br> /<br>ATOMIC_SPECIES <br>Mo   95.96   Mo.pw91-n-van.UPF<br>S    32.06   S.pw91-van_ak.UPF<br>ATOMIC_POSITIONS {crystal}<br>Mo  0.33333333  0.66666667  0.25000000<br>Mo  0.66666667  0.33333333 
 0.75000000<br>S   0.33333333  0.66666667  0.62000000<br>S   0.66666667  0.33333333  0.12000000<br>S   0.66666667  0.33333333 -0.62000000<br>S   0.33333333  0.66666667 -0.12000000<br>K_POINTS AUTOMATIC<br>4 4 4 1 1 1<br><br>Thanks<br>Sohail<br>KKU<br>Saudi Arabia<br><br></td></tr></table>