[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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