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<p style="margin-top:0;margin-bottom:0"><span style="white-space: pre-wrap; font-size: 12pt;">Dear Quantum Espresso Users</span><br>
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<p style="margin-top:0;margin-bottom:0"><span>I want to optimize the knitting constant and atomic positions, but I could not do it anyway. I'm running " calculation = 'vc-relax' ". It gives </span></p>
<p style="margin-top:0;margin-bottom:0"><span>"</span></p>
<div>Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL</div>
<div>STOP 3</div>
<div><span style="font-size: 12pt;">" error.</span><br>
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<pre style="white-space: pre-wrap;"> I will be grateful to you if you can kindly guide us regarding these matters.
Thanking you,
Yours sincerely,
Tahsin</pre>
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<div>&CONTROL</div>
<div> calculation = 'vc-relax',</div>
<div> prefix = 'Para_SbSI',</div>
<div> pseudo_dir = './',</div>
<div> outdir = './',</div>
<div> tstress = .true.,</div>
<div> tprnfor = .true.,</div>
<div> /</div>
<div><br>
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<div>&SYSTEM</div>
<div> ibrav = 8, !8 Orthorhombic, </div>
<div> celldm(1) = 16.09471257417136,!A=8.517A=16.09471257417136Bohr B=10.111 C=4.094</div>
<div> celldm(2) = 1.18715510156158,!b/a</div>
<div> celldm(3) = 0.48068568744863,!c/a</div>
<div> nat = 12, </div>
<div> ntyp = 3, </div>
<div> ecutwfc = 70,</div>
<div> ecutrho = 700,</div>
<div> occupations='smearing', </div>
<div> smearing='gaussian', </div>
<div> degauss=0.04, </div>
<div> /</div>
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<div>&ELECTRONS</div>
<div> mixing_beta = 0.2,</div>
<div> /</div>
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<div>&ions /</div>
<div>&cell cell_factor=2.3/ </div>
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<div>ATOMIC_SPECIES</div>
<div> Sb 121.76 Sb.pbe-hgh.UPF</div>
<div> S 32.065 S.pbe-hgh.UPF</div>
<div> I 126.90447 I.pbe-hgh.UPF</div>
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<div>ATOMIC_POSITIONS (crystal)</div>
<div>Sb 0.119000 0.250000 0.124000</div>
<div>Sb 0.381000 0.750000 0.624000</div>
<div>Sb 0.881000 0.750000 0.876000</div>
<div>Sb 0.619000 0.250000 0.376000</div>
<div>S 0.840000 0.250000 0.050000</div>
<div>S 0.660000 0.750000 0.550000</div>
<div>S 0.160000 0.750000 0.950000</div>
<div>S 0.340000 0.250000 0.450000</div>
<div>I 0.508000 0.250000 0.828000</div>
<div>I 0.992000 0.750000 0.328000</div>
<div>I 0.492000 0.750000 0.172000</div>
<div>I 0.008000 0.250000 0.672000</div>
<div> </div>
<div>K_POINTS (automatic)</div>
<div> 4 3 8 1 1 1</div>
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