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Hello all,</div>
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I'm trying to perform a simple graphene computation with the following input I got from here: <a href="https://lists.quantum-espresso.org/pipermail/users/2010-May/016890.html" id="LPlnk504793">https://lists.quantum-espresso.org/pipermail/users/2010-May/016890.html</a>.
It works fine with qe-7.0, but consistently gives a SIGSEGV error with qe-7.1. Has some syntax changed in the new version or is this just a bug?</div>
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&CONTROL
<div class="ContentPasted0"> calculation = 'scf'</div>
<div class="ContentPasted0"> restart_mode='from_scratch'</div>
<div class="ContentPasted0"> prefix='graphene'</div>
<div class="ContentPasted0"> pseudo_dir='/home/milesj/qe-7.0_cp/pseudo/'</div>
<div class="ContentPasted0"> outdir='/home/milesj/nonmag/tmp/'</div>
<div class="ContentPasted0">/</div>
<div class="ContentPasted0">&SYSTEM</div>
<div class="ContentPasted0"> ibrav=4</div>
<div class="ContentPasted0"> celldm(1)=4.6595</div>
<div class="ContentPasted0"> celldm(3)=4.0571</div>
<div class="ContentPasted0"> nat=2</div>
<div class="ContentPasted0"> ntyp=1</div>
<div class="ContentPasted0"> ecutwfc=40.0</div>
<div class="ContentPasted0"> ecutrho=200.0</div>
<div class="ContentPasted0"> occupations='smearing'</div>
<div class="ContentPasted0"> smearing='gaussian'</div>
<div class="ContentPasted0"> nbnd = 8</div>
<div class="ContentPasted0"> degauss=0.02</div>
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<div class="ContentPasted0">&ELECTRONS</div>
<div class="ContentPasted0"> conv_thr = 1.0e-8</div>
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<div class="ContentPasted0">ATOMIC_SPECIES</div>
<div class="ContentPasted0"> C 12.011 C_FR_stringent_sol.upf</div>
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<div class="ContentPasted0">ATOMIC_POSITIONS (angstrom)</div>
<div class="ContentPasted0"> C 0.000000000 0.000000000 0.000000000</div>
<div class="ContentPasted0"> C 1.232850116 0.706423116 0.000000000</div>
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<div class="ContentPasted0">K_POINTS {automatic}</div>
16 16 1 0 0 0<br>
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Thanks,</div>
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Miles</div>
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