[Pw_forum] electronic-phonon coupling error
Y.M.Qian
yuminqian at gmail.com
Sun Oct 25 13:14:05 CET 2009
Thanks for your reply .
Yes , I used the k-point grid (16,16,16,1,1,1)
So I changed it following your suggestion
But there is still mistake
and the output is
Atomic displacements:
There are 10 irreducible representations
Representation 1 2 modes - To be done
Representation 2 2 modes - To be done
Representation 3 2 modes - To be done
Representation 4 1 modes - To be done
Representation 5 2 modes - To be done
Representation 6 1 modes - To be done
Representation 7 1 modes - To be done
Representation 8 1 modes - To be done
Representation 9 1 modes - To be done
Representation 10 2 modes - To be done
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from openfilq : error # 1
file nm-type.wfc not found
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
2009-10-25
Y.M.Qian
发件人: Paolo Giannozzi
发送时间: 2009-10-23 22:03:01
收件人: PWSCF Forum
抄送:
主题: Re: [Pw_forum] electronic-phonon coupling error
On Oct 23, 2009, at 12:35 , Y.M.Qian wrote:
> Is anyone know what is wrong with me ?
with you, nothing that I know. With your data: did
you by any chance use "translated" k-points grid
(e.g. 16 16 16 1 1 1) ? you should use grids centered
in k- (e.g. 16 16 16 0 0 0)
P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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