[Pw_forum] About Theta_D file discription

2013-10-03 Thread Peram sreenivasa reddy
10.92800053 10.92798968 300.00 401.16 10.99201218 10.99205501 310.00 401.57 11.05054144 11.05052223 -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131003/ada006a6/attachment.html

[Pw_forum] Calculation of FES using constrained MD simulations

2013-10-03 Thread Ananya Mondal
cp code ? With warm regard, Ananya -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131003/c89c492d/attachment.html

[Pw_forum] Pseudopotential format for virtual.x

2013-10-03 Thread Rui Mao
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[Pw_forum] Will "asr=simple", will work for Gamma point only.

2013-10-03 Thread Peram sreenivasa reddy
dynamical matrices. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131003/90796304/attachment.html

[Pw_forum] Error trying to recover aborted ph.x run

2013-10-03 Thread W2AGZ
W2AGZ Technologies IBM Research Staff Manager Emeritus -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131003/87949f8f/attachment.html

[Pw_forum] Phonon dispersion

2013-10-03 Thread Sanjeev Gupta
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[Pw_forum] Phonon dispersion

2013-10-03 Thread Chukwuemeka Okoye
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[Pw_forum] RE Meaning for outputs of D3.X

2013-10-03 Thread Hugo LEVARD
ly by return message. E-mail communication cannot be guaranteed to be timely secure, error or virus-free. -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131003/1769b3f8/attachment.html -- next part -