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<p class="MsoNormal">Many thanks.</p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="border:none;padding:0in"><b>From: </b><a href="mailto:p.giannozzi@gmail.com">Paolo Giannozzi</a><br>
<b>Sent: </b>Wednesday, September 15, 2021 3:18 AM<br>
<b>To: </b><a href="mailto:users@lists.quantum-espresso.org">Quantum ESPRESSO users Forum</a><br>
<b>Subject: </b>Re: [QE-users] error in pw.x</p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">On Tue, Sep 14, 2021 at 12:09 PM LEUNG Clarence <<a href="mailto:liangxy123@hotmail.com">liangxy123@hotmail.com</a>> wrote:<o:p></o:p></p>
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<p class="MsoNormal"> <o:p></o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">There is an error in pw.x as
</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> Error in routine fft_type_set (6):</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> there are processes with no planes. Use pencil decomposition (-pd .true.)</p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">it's not an error but a sign of bad parallelization: too many MPI processors are used<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Paolo<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">my input file is a two layer graphite with 100 atoms</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">&CONTROL</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> calculation='vc-relax',</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> prefix='gp',</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> etot_conv_thr = 3.5D-7 ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> forc_conv_thr = 2.0D-4 ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">/</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">&SYSTEM</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> ibrav=4,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> celldm(1)=23.2549696889d0, celldm(3)=0.5451812124d0,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> nat=100,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> ntyp=1,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> ecutwfc=50,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> ecutrho=500,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> input_dft='PBE',</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> occupations='smearing',</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> smearing = 'gaussian' ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> degauss = 0.01 ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> vdw_corr = 'DFT-D3' ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> nspin = 2 ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> starting_magnetization(1) = 0.5 ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">/</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">&ELECTRONS</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> conv_thr=1d-06,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> mixing_beta=0.7d0,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> mixing_mode ='local-TF',</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> electron_maxstep = 100 ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> scf_must_converge = .false. ,</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">/</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">&IONS</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">/</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">&CELL</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">/</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">ATOMIC_SPECIES</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 95.940000d0 C.pbe-n-kjpaw_psl.1.0.0.UPF</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">ATOMIC_POSITIONS {crystal}</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.0000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.2000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.4000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.6000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.8000000000d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.0000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.2000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.4000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.6000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8000000000d0 0.8000000000d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.0666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.2666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.4666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.6666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8666666667d0 0.1333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8666666667d0 0.3333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8666666667d0 0.5333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8666666667d0 0.7333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.8666666667d0 0.9333333333d0 0.2500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.1333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.1333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.1333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.1333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.1333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.3333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.3333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.3333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.3333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.3333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.5333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.5333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.5333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.5333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.5333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.7333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.7333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.7333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.7333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.7333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.9333333333d0 0.0666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.9333333333d0 0.2666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.9333333333d0 0.4666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.9333333333d0 0.6666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> C 0.9333333333d0 0.8666666667d0 0.7500000000d0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">K_POINTS {automatic}</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> 6 6 2 0 0 0</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto">Running on a node with 96 threads and 128G RAM.</p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"> </p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:DengXian">Thanks!</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:DengXian">Best regards,</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:DengXian">LIANG Xiongyi</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:DengXian">Postdoctoral Fellow</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:DengXian">The University of Hong Kong</span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span style="font-family:DengXian"> </span></p>
</div>
</div>
<p class="MsoNormal">_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">
users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><o:p></o:p></p>
</blockquote>
</div>
<p class="MsoNormal"><br clear="all">
<br>
-- <o:p></o:p></p>
</div>
<p class="MsoNormal" style="margin-bottom:12.0pt">Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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