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<div class="">Dear Quantum Espresso friends,</div>
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<div class="">I like to feed my calculations with previously calculated charge-density files.</div>
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<div class="">According to the documentation, setting startingpot=‘file’ should do the trick.</div>
<span class="">pw.x should then look for a file such as ./pwscf.save/charge-density.xml, though this</span>
<div class=""><span class="">might look a bit different according to the settings of outdir and prefix. See snippet of</span></div>
<div class=""><span class="">the documentation below.<br class="">
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My calculations yield a pwscf.save directory, therein I can find a file, named </span><span class="">charge-density.dat,</span></div>
<div class=""><span class="">and not </span>charge-density.xml. Does this provide a problem for reading initial charge-densities?<span class=""><br class="">
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I would also expect to find a wave function file in pwscf.save directory. However I could not find it.</span></div>
<div class=""><span class="">It should be written by default, right?</span></div>
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<div class=""><span class="">There is a paw.txt file in pwscf.save directory. Is this also useful for a possible restart?<br class="">
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<div class=""><a href="https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm822" class="">https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm822</a></div>
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startingpot</th>
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CHARACTER</td>
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<pre style="font-size: 14px; margin-bottom: -1em;" class=""> Available options are:
</pre>
<dl style="margin-left: 1.5em;" class=""><dt class=""><tt style="font-size: 14px;" class=""><span class="flag" style="color: rgb(0, 128, 0); font-weight: bold;">'atomic'</span> :</tt></dt><dd class="">
<pre style="font-size: 14px; margin-top: 0em; margin-bottom: -1em;" class="">starting potential from atomic charge superposition
(default for scf, *relax, *md)
</pre>
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<dl style="margin-left: 1.5em;" class=""><dt class=""><tt style="font-size: 14px;" class=""><span class="flag" style="color: rgb(0, 128, 0); font-weight: bold;">'file'</span> :</tt></dt><dd class="">
<pre style="font-size: 14px; margin-top: 0em; margin-bottom: -1em;" class="">start from existing "charge-density.xml" file in the
directory specified by variables <a href="https://www.quantum-espresso.org/Doc/INPUT_PW.html#prefix" class="">prefix</a> and <a href="https://www.quantum-espresso.org/Doc/INPUT_PW.html#outdir" class="">outdir</a>
For nscf and bands calculation this is the default
and the only sensible possibility.</pre>
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