[Pw_forum] El-ph and spin not implemented

Paolo Giannozzi giannozz at nest.sns.it
Mon Dec 11 12:08:46 CET 2006


On Dec 11, 2006, at 5:44 , Amit Kumar wrote:

>  I'm getting the following error for an AFM metal.
>
>       El-ph and spin not implemented
>
>  My questions is, in the new version of  pwscf  is it implemented????

no, but it shouldn't be that difficult to implement.

>  It would be better if you add a page in new user guide describing
>  what's new in the current version compare to the previous versions.

it would. There is a file "ChangeLog" that details all changes,
though

> Why I'm not finding the executable  LAMBDA.X  in the executable  
> directory of PWSCF after compilation???

because lambda.f90 is not really ready for use; it is provided "as is",
just as an example. The last version uses a different processing of
the electron-phonon data that is undocumented for the same reason.

Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy





More information about the Pw_forum mailing list