<div dir="ltr"><img width="0" height="0" class="mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/4d1d45c7bb49454d58d85bb9820774dcb9632770.png?u=949040"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Dear Wannier experts,</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">         I am trying to do wannier calculation using wannier 90 interfaced with QE PWSCF. As a first step I tried to a wannier calculation for a CO2 molecule.  After nscf and wannier90.x calculation, while running pw2wannier90.x, i got  message </div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">                              "<b>Error in routine pw2wannier90 (64): Wrong number of k-points" </b></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">I am new to the wannier calculation,I searched in the forum for solution but  unable to resolve the issue. However, with only gamma point the calculation runs fine.In other cases it shows error. Please see the attached input files.</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small">Thanks and Regards,</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small"><br></div><div><div class="gmail_signature"><div dir="ltr"><div><div><div><div>Shashi Bhusan Mishra<br></div>Research Scholar,<br></div>Dept. <div class="gmail_default" style="font-family:arial,helvetica,sans-serif;font-size:small;display:inline">​o​</div>f Physics,<br></div>Room No- HSB209A<br></div>IIT Madras-36<br></div></div></div>
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