[Pw_forum] Regarding Pwscf calculation - Organic Monoclinic Crystal

[ANUP THOMAS]

Dear Pwscf Form Memebers

    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.

   Look forward to hear from you all.
-- 
Regards

Anup Thomas
SRF 7123
Computational Chemistry Lab of I and PC Division
Indian Institute of Chemical Technology
Hyderabad 500007
India


"Praise the Lord, all you nations; extol him, all you peoples.
For great is his love toward us, and the faithfulness of the Lord endures
forever.
Praise the Lord"
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110329/bf2d3154/attachment.html>