[Pw_forum] surface relaxation and non-zero parallel forces.

gt; Surface Physics Group, > Centro At?mico Bariloche, > > > > ___ > Pw_forum mailing list > Pw_forum at pwscf.orghttp://www.democritos.it/mailman/listinfo/pw_forum > > > > ___ > 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/20110611/02baafed/attachment.htm

[Pw_forum] surface relaxation and non-zero parallel forces.

G. A. Bocan >> Surface Physics Group, >> Centro At?mico Bariloche, >> >> ___ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > > -- > Regards, > MOHNISH, > - > Mohnish Pandey > Senior Project Associate, > Department of Chemical Engineering, > IIT KANPUR, UP, INDIA > - > > ___ > 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/20110611/3c36e1d4/attachment-0001.htm

[Pw_forum] NEB error

our input file or script that made the program work. Many thanks -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110611/982dc92b/attachment-0001.htm

[Pw_forum] NEB error

/pw_forum/attachments/20110611/d80843c4/attachment.htm

[Pw_forum] where can I find the training courses for QE?

Dear Chengyu, it would really help if you were to point out, in more detail, where you are - UCF doesn't really say enough. There is a school in Oxford in July (already full); one in Sao Paulo (Brazil) in September, organized by ICTP - not sure about the future, but I agree it would be nice to

[Pw_forum] NEB error

Dear Chenghua,could you please tell me how did you modify your input file or script that made the program work. Many thanks -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110611/b1e3b80a/attachment.htm

[Pw_forum] surface relaxation and non-zero parallel forces.

rg > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Regards, MOHNISH, - Mohnish Pandey Senior Project Associate, Department of Chemical Engineering, IIT KANPUR, UP, INDIA - -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110611/b00e25d0/attachment.htm

[Pw_forum] surface relaxation and non-zero parallel forces.

041480.00030.01175266 > atom 15 type 1 force =-0.4148 -0.00030.01175266 > atom 16 type 1 force = 0.4148 -0.00030.01175266 > > Dr. G. A. Bocan > Surface Physics Group, > Centro At?mico Bariloche, > > > > ___ > 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/20110611/d11cf1cc/attachment.htm

[Pw_forum] NEB error

Hi Paolo, Thank you for your reminding. It works now. Chenghua Chenghua Sun, PhD ARC Centre of Excellence for Functional Nanomaterials Centre for Computational Molecular Science Australian I