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Dear espresso community,</div>
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recently I have been trying to calculate superconductive gap of NbSe2 using EPIq code. I do encounter problem while triyng to calculate electron-phonon-coupling matrix elements. I do follow strategy presented in example (<a href="https://the-epiq-team.gitlab.io/epiq-site/docs/tutorials/mos2/" id="LPNoLPOWALinkPreview" class="OWAAutoLink">https://the-epiq-team.gitlab.io/epiq-site/docs/tutorials/mos2/</a>).</div>
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Used software - qe 7.2. I also attach the basic structure of my calculation and I do work
<i>with nonmagnetic SOC calculation</i>.<br>
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I do struggle with multiple issues. The first one is the need to work with localized Wannier basis - according to the EPIq tutorial I should use in ph.x calculation of el-ph matrix elements flags:</div>
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<i>electron_phonon='Wannier',</i></div>
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<i> dvscf_star%open=.true.,</i>
<div class="ContentPasted2"><i> dvscf_star%basis= "cartesian",</i></div>
<div class="ContentPasted2"><i> fildvscf='dvscf',</i></div>
<div class="ContentPasted2"><i> dvscf_star%dir='./../2.phonon/Rotated_DVSCF'</i></div>
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However, I am struggling to find reasonable documentation for ph.x regarding <i>'Wannier'
</i>option for el-ph calculation. If there is some literature, please notify me .</div>
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In my case the problem emerges in this particular step, when I do possess wannierized electronic wavefunctions (./1.Wannier) and phonon modes (./2.phonon/ and rotated dvscf ./2.phonon/Rotated_DVSCF/) separately saved in two distinct folders. When I try to run
ph.x el-phon calc (./3.Elph, with coppied dynamical matrices from from phonon calc) it seems to start writing dvscf files to electronic outdir - which I take to be folder ./1.Wannier (then it stores to ./Wannier/_ph0/), however,<u><i> these files exists, but
thety are empty</i></u> and error occures:</div>
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<i> Error in routine davcio (90334):</i>
<div class="ContentPasted4 elementToProof"><i> error reading file "/home/mosko/local/NbSe2_calc_with_epiq/3.Elph/../1.Wannier/_ph0/NbSe2.dvscf1_1"</i></div>
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<i><br>
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<i>If there is any way how to resolve this issue, please notify me.<br>
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<i>Best</i></div>
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<i>Timon<br>
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