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<p class="MsoNormal">Dear QE users,</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">There is an error in pw.x as </p>
<p class="MsoNormal"> Error in routine fft_type_set (6):</p>
<p class="MsoNormal"> there are processes with no planes. Use pencil decomposition (-pd .true.)</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">my input file is a two layer graphite with 100 atoms</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">&CONTROL</p>
<p class="MsoNormal"> calculation='vc-relax',</p>
<p class="MsoNormal"> prefix='gp',</p>
<p class="MsoNormal"> etot_conv_thr = 3.5D-7 ,</p>
<p class="MsoNormal"> forc_conv_thr = 2.0D-4 ,</p>
<p class="MsoNormal">/</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">&SYSTEM</p>
<p class="MsoNormal"> ibrav=4,</p>
<p class="MsoNormal"> celldm(1)=23.2549696889d0, celldm(3)=0.5451812124d0,</p>
<p class="MsoNormal"> nat=100,</p>
<p class="MsoNormal"> ntyp=1,</p>
<p class="MsoNormal"> ecutwfc=50,</p>
<p class="MsoNormal"> ecutrho=500,</p>
<p class="MsoNormal"> input_dft='PBE',</p>
<p class="MsoNormal"> occupations='smearing',</p>
<p class="MsoNormal"> smearing = 'gaussian' ,</p>
<p class="MsoNormal"> degauss = 0.01 ,</p>
<p class="MsoNormal"> vdw_corr = 'DFT-D3' ,</p>
<p class="MsoNormal"> nspin = 2 ,</p>
<p class="MsoNormal"> starting_magnetization(1) = 0.5 ,</p>
<p class="MsoNormal">/</p>
<p class="MsoNormal">&ELECTRONS</p>
<p class="MsoNormal"> conv_thr=1d-06,</p>
<p class="MsoNormal"> mixing_beta=0.7d0,</p>
<p class="MsoNormal"> mixing_mode ='local-TF',</p>
<p class="MsoNormal"> electron_maxstep = 100 ,</p>
<p class="MsoNormal"> scf_must_converge = .false. ,</p>
<p class="MsoNormal">/</p>
<p class="MsoNormal">&IONS</p>
<p class="MsoNormal">/</p>
<p class="MsoNormal">&CELL</p>
<p class="MsoNormal">/</p>
<p class="MsoNormal">ATOMIC_SPECIES</p>
<p class="MsoNormal"> C 95.940000d0 C.pbe-n-kjpaw_psl.1.0.0.UPF</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">ATOMIC_POSITIONS {crystal}</p>
<p class="MsoNormal"> C 0.0000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.0000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.2000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.4000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.6000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.8000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.0666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.0666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.2666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.4666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.6666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.8666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal"> C 0.1333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.1333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.1333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.1333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.1333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.3333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.3333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.3333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.3333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.3333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.5333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.5333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.5333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.5333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.5333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.7333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.7333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.7333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.7333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.7333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.9333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.9333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.9333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.9333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal"> C 0.9333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">K_POINTS {automatic}</p>
<p class="MsoNormal"> 6 6 2 0 0 0</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Running on a node with 96 threads and 128G RAM.</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span style="font-family:DengXian">Thanks!<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:DengXian">Best regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:DengXian">LIANG Xiongyi<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:DengXian">Postdoctoral Fellow<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:DengXian">The University of Hong Kong<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-family:DengXian"><o:p> </o:p></span></p>
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