[Pw_forum] problen to run q2r.x code.

2012-01-26 Thread bramha pandey
ation Engg) GLA Group of Institutions, Mathura. Ph. No. 08954143009 email id pandey.bramha at gmail.com bpglaitm at yahoo.co.in -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/c1662595/attachment.htm

[Pw_forum] Mysterious Matdyn Message(s)

2012-01-26 Thread Axel Kohlmeyer
On Thu, Jan 26, 2012 at 8:19 PM, W2AGZ wrote: > To Matdyn Users: > > > > I?m trying to trace back some matdyn.x messages I?ve not seen before.? They > start with: > > > > Message from routine matdyn: > > Z* not found in file SNx.fc, TO-LO splitting at q=0 will be absent! > > ?? ??A direction

[Pw_forum] Mysterious Matdyn Message(s)

2012-01-26 Thread W2AGZ
Thanks, -Paul Paul Grant, W2AGZ Technologies, JPL/CalTech Staff Associate -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/4c06f638/attachment-0001.htm

[Pw_forum] (no subject)

2012-01-26 Thread Layla Martin-Samos
4.57494 > K_POINTS (automatic) > 9 9 6 0 0 0 > > > > -- > Giacomo GIORGI > > Department of Chemical System Engineering, > School of Engineering, The University of Tokyo > 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan > E-mail: giacomo at tcl.t.u-tokyo.ac.jp > > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/16bc6e0f/attachment.htm

[Pw_forum] (no subject)

2012-01-26 Thread bhabya sahoo
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[Pw_forum] doubt on TDDFPT output

2012-01-26 Thread Eduardo Ariel Menendez Proupin
". Alejo Carpentier, El reino de este mundo, (1949). Translate from spanish here http://translate.google.com/?hl=&ie=UTF-8&text=&sl=es&tl=en -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/1bc80d66/attachment-0001.htm

[Pw_forum] from read_namelists : error # 88

2012-01-26 Thread giacsp...@libero.it
Excuse me, I forgot to add a title to the email G >Messaggio originale >Da: giacsport at libero.it >Data: 26/01/2012 11.43 >A: >Ogg: > >Dear All, > I have installed the 4.3.2 version of pwscf on the CINECA sp6 >machine. The compilation was successful. >Now I am trying

[Pw_forum] (no subject)

2012-01-26 Thread giacsp...@libero.it
Dear All, I have installed the 4.3.2 version of pwscf on the CINECA sp6 machine. The compilation was successful. Now I am trying to make some benchmark calculations with some pseudos I previously used and well tested. As far as I launch the job whose input you find below, I get the

[Pw_forum] (no subject)

2012-01-26 Thread bhabya sahoo
is there any space group iimplimentation in espresso? if no how to handel that problem SAHU MUMBAI -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/a24c50b3/attachment.htm

[Pw_forum] Fwd: error in relaxation

2012-01-26 Thread bhabya sahoo
2516 2517 %% 2518 from sym_rho_init_shell : error # 3 2519 SAHOO B RESERCH SCHOLAR MUMBAI -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/310b420a/attachment.htm

[Pw_forum] Fwd: xsf to pwscf input

2012-01-26 Thread Gabriele Sclauzero
emocritos.it/mailman/listinfo/pw_forum > > > ? Gabriele Sclauzero, EPFL SB ITP CSEA >PH H2 462, Station 3, CH-1015 Lausanne > > > > > > > ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/5bb094be/attachment.htm

[Pw_forum] Input file of graphene

2012-01-26 Thread Rahen Badsha
hahi University, Bangladesh. -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120126/d9490dde/attachment-0001.htm

[Pw_forum] errors during calculation of thermal properties of ZnO using QHA

2012-01-26 Thread zafar rasheed
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