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<div class="" style="word-wrap:break-word">Dear Fataneh,
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<div class="">When I did this a while ago I found it easiest to let emc.py generate the stencil grid and copy the relevant part of the KPOINTS file into a pw.x nscf file. After running the nscf you can extract the eigenvalues back into an EIGENVAL formatted
file for analysis by emc.py. This last step can be done with the attached script.</div>
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<div class="">Not the most direct and elegant way, but it worked.</div>
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<div class="">Best regards,</div>
<div class="">-uli</div>
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SNF Prof. Dr. Ulrich Aschauer<br class="">
Universität Bern<br class="">
Departement für Chemie und Biochemie<br class="">
Freiestrasse 3<br class="">
CH-3012 Bern<br class="">
Tel. +41 (0)31 631 5629<br class="">
<a href="mailto:ulrich.aschauer@dcb.unibe.ch" class="">ulrich.aschauer@dcb.unibe.ch</a><br class="">
www.dcb.unibe.ch<br class="">
Büro: N431</div>
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<blockquote type="cite" class="">
<div class="">On 16 Feb 2016, at 09:00, fataneh bostan afroz <<a href="mailto:fbostanafroz@gmail.com" class="">fbostanafroz@gmail.com</a>> wrote:</div>
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<div dir="ltr" class="">Dear
<div class="">I want to calculate Effective mass using quantum espresso.</div>
<div class=""><i class="" style=""> Is it possible to calculate effective mass using
</i> Effective mass calculator ( EMC)<i class="" style=""> in quantum espresso such as are </i><font class=""><i class="">implemented for Vasp and CRYSTAL in this link</i></font><br class="">
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<div class=""><font class=""><i class=""><a href="http://afonari.com/emc/" class="">http://afonari.com/emc/</a>?<br class="">
</i></font></div>
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<div class=""><font class=""><i class="">pleas giud me.</i></font></div>
<div class=""><font class=""><i class="">thank you</i></font></div>
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