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<p>in your input you set ATOMIC_POSITIONS(crystal) but if I have
understood well your coordinates are cartesian in angstrom. <br>
</p>
<p>In this case you should set ATOMIC_POSITION{angstrom} <br>
</p>
<p>Pietro <br>
</p>
<div class="moz-cite-prefix">On 23/05/2017 07:30,
<a class="moz-txt-link-abbreviated" href="mailto:aprateek@iisermohali.ac.in">aprateek@iisermohali.ac.in</a> wrote:<br>
</div>
<blockquote type="cite"
cite="mid:bae2854420ab93aee6f632c0891cb6ea.squirrel@webmail.iisermohali.ac.in">
<pre wrap="">Hi,
I am trying to run bandstructure calculation for phosphorene sheet using
Quantum Espresso,
Phosphorene has orthorhomic lattice space group =4 So as per QE manual i
kept ibrav=4
a=3.3136A, b=10.478A, c=4.3763A
and four P atoms of unit cell only in Angstroms
But it showing error in reading atomic positions. So, kindly check the
attached input and output file and suggest.</pre>
<br>
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