[Pw_forum] Some questions about vibrational modes

ne (untill March 2013) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121014/099f3947/attachment.html

[Pw_forum] (no subject)

Dear all Can Any one interpret this output data from "PWcond"? to transmit Band j to band i transmissions and reflections: j i |T_ij|^2|R_ij|^2 1 --> 1 1.0 0.0 1 --> 2 0.0 0.0 1 --> 3 0.0 0.0 1 -->

[Pw_forum] Raman spectra

-- Eduardo Menendez Proupin Departamento de Qu?mica Fisica Aplicada Facultad de Ciencias Universidad Aut?noma de Madrid 28049 Madrid, Spain Phone: +34 91 497 6706 -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121014

[Pw_forum] Relaxing adatom at z-axis

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[Pw_forum] How to get optimized celldm parameters?

Dear Stefano and Alexey, thank you! The method you've suggested works perfectly. Yu. On 10/13/2012 04:48 PM, Alexey Akimov wrote: > p.s. haven't seen this reply > > - Original Message - > From: "Stefano de Gironcoli" > To: "PWSCF Forum" > Sent: Saturday, October 13, 2012 2:03:22 AM > Subje