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<p>Hello Stefano,</p>
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<p>the problem is that i would like to study the band structure etc. around the K point in graphene and graphene with adatoms with SO. With the accuracy of order 10^-4 I think I will not be able to see some important details.</p>
<p>Best wishes,</p>
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<p>Malgorzata Wawrzyniak-Adamczewska</p>
<p>Adam Mickiewicz University, Poznan, Poland</p>
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<p> Message: 2 Date: Fri, 29 Jan 2016 14:13:33 +0100 From: stefano de gironcoli <<a href="mailto:degironc@sissa.it">degironc@sissa.it</a>> Subject: Re: [Pw_forum] accuracy of the energies printed to file To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a> Message-ID: <<a href="mailto:56AB657D.9000704@sissa.it">56AB657D.9000704@sissa.it</a>> Content-Type: text/plain; charset="utf-8" do you really need to print the eigenvalues with 10^-7 eV accuracy ? stefano On 29/01/2016 14:08, Ma?gorzata Wawrzyniak-Adamczewska wrote:</p>
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<blockquote type="cite" style="padding-left:5px; border-left:#1010ff 2px solid; margin-left:5px">Dear QE users and developers, I was wondering if there is a possibility to increase the accuracy of the energies printed in the e.g. scf.out file or bands.out file? I find the accuracy of D^-4: ------------------------------------------------------------------------------------------------------- k = 0.0000 0.0000 0.0000 ( 2289 PWs) bands (ev): -21.2789 -21.2789 -9.3618 -9.3618 -4.7450 -4.7450 -4.7357 -4.7357 1.2876 1.2876 2.0573 2.0573 2.2604 2.2604 4.3273 4.3273 4.9921 4.9921 6.6656 6.6656 6.6734 6.6734 8.2476 8.2476 9.4082 9.4082 9.8358 9.8358 10.9914 10.9914 13.5952 13.5952 ----------------------------------------------------------------------------------------------------- and would like to increase it to D^-7. Thank you in advance, Malgorzata Wawrzyniak</blockquote>
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