[Pw_forum] is there PAW PP for cabon

2009-09-08 Thread 程迎春
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[Pw_forum] is there PAW PP for cabon

2009-09-08 Thread xu yuehua
, Nanjing 210093, P. R. China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090908/6162c55d/attachment.htm

[Pw_forum] using ev.x

2009-09-08 Thread Paolo Giannozzi
On Sep 8, 2009, at 21:04 , udayagiri sai babu wrote: > which equation of state should i use for cr? because for vanadium > and Ti > murnagan equation of state has given reasonable (<20% error) values of > bulk modulus but not for Cr you are not, for sure, the first one trying to find the grou

[Pw_forum] using ev.x

2009-09-08 Thread Stefano Baroni
t > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090908/52deb274/attachment.htm

[Pw_forum] using ev.x

2009-09-08 Thread Stefano Baroni
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[Pw_forum] All electron calculations for Cr and Ti

2009-09-08 Thread udayagiri sai babu
PhD student, Deformation mechanisms modeling group, Materials engineering department, IISc Bangalore, India. -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090908/eda0bb30/attachment.htm

[Pw_forum] Pw_forum Digest, Vol 27, Issue 32

2009-09-08 Thread wangqj1
e italian brains *** > http://saveitalianbrains.wordpress.com/ ? -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090908/414a22d2/attachment.htm

[Pw_forum] Pw_forum Digest, Vol 27, Issue 32

2009-09-08 Thread Lorenzo Paulatto
On Mar, Settembre 8, 2009 03:38, wangqj1 wrote: > Dear Lorenzo > Thanks for your help, but what shoul I do to solve the problem ? Can > you tell the specific course ? Please have a look at the user guide: http://www.quantum-espresso.org/user_guide/node14.html (and its subsections!) Don't