Dear Pwscf Form Memebers<br><br> I want to do band structure of monoclinic organic crystal -Napthalene. It will be highly helpfull if someone can help me how we can convert .cif file of a monoclinic crystal to pwscf input file. And also on K-path selection.<br>
<br> Look forward to hear from you all. <br>-- <br><div>Regards<br><br>Anup Thomas<br>SRF 7123<br>Computational Chemistry Lab of I and PC Division<br>Indian Institute of Chemical Technology<br>Hyderabad 500007<br>India</div>
<div> </div>
<div>
<div> </div>
<div style="text-align: center;"><font color="#000099">"Praise the Lord, all you nations; extol him, all you peoples. <br>For great is his love toward us, and the faithfulness of the Lord endures forever.<br>Praise the Lord"</font></div>
</div><br>