Hi Dear QE Users
I have a doubt regarding the Born effective charges. I am doing
phonon calculation of ZrP2O7 (cubic structure). The wyckoff site of
Zr , P and two different kind of oxygen O1 and O2 are 4a, 8c, 24d and
4b respectively. The calculated born effective charges are same for
all Z
On May 28, 2011, at 10:35 , Egbert Barnard wrote:
> I am performing a NEB calculation on a Fe-S system and
> after the calculation has run for a few hours I get the following
> error.
>
> task #22
> from igk_l2g_kdip : error # 1
> unexpected dimension in ngg
funn
__
>> 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/20110529/4ca703fd/attachment.htm
t know
> please help me
>
-- next part --
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20110529/ba5d2bd1/attachment.htm
-- next part --
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20110529/2eab42c4/attachment.htm
istinfo/pw_forum
-- next part --
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20110529/1af7afb9/attachment.htm
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/20110529/c1baaa2c/attachment.htm
w_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
> D
-- next part --
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20110529/9889a128/attachment.htm
> 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/20110529/fffcd329/attachment-0001.htm
http://www.democritos.it/pipermail/pw_forum/attachments/20110529/60b44b90/attachment.htm
10 matches
Mail list logo