[Pw_forum] Electron-phonon interaction ...

Amit Kumar amit76.india at gmail.com
Tue Dec 19 08:16:45 CET 2006

>    Dear Malgorzata,

       I have not recieved your reply yet.
       Have you checked your sample Mg-script???
       It's working fine for your celldm(3) = 3.21 but giving the error
       even for celldm(3) = 4.21. I'm confused. I think it's not
       expected. Right????

       Waiting for your suggestions.


   It' s very nice to recieve your amiable reply.
>    I told you that the error was due to some other reason not due to
>    k-point grid I have used.
>    Yes!!!!!!!!!! I have found out the reason.
>    It's due to  celldm(3)  (= 16.0 ) I have used.
>    If I use small celldm(3) like you, then I'm also not getting any error.
>    But I'm little confused. To study 2D case properly,  we should use a
> large c/a ratio.
>    Right????????? Then why a big ratio showing some different  error like
>    "can't remap k-point grid".
>    Thank you very much for your kind help.
>    Regards,
>    Amit
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20061219/6792043d/attachment.html>

More information about the users mailing list