The ABINIT Users Mailing List ( CLOSED )

[Turan Birol <tb283@cornell.edu>]

Dear Abiniters,

I am doing a response function calculation for an ionic crystal at
Gamma, and so far following the steps in response function tutorial
have been pretty much enough. However, there is a question that
troubles me: When a dataset gets the wave function from a previous
dataset, the following warning is generated:

-------
 hdr_check: WARNING -
  input nkpt=      72 not equal disk file nkpt=      10

(...)

 hdr_check: WARNING -
  Restart of self-consistent calculation need translated wavefunctions.
  Indeed, critical differences between current calculation and
  restart file have been detected in:
        * the number, position, or weight of k-points
        * the format of wavefunctions (istwfk)
-------

Well, the number of k points' being different is a natural result of
using diffrent kptopt, and I believe I really do not need the
translated wavefunctions since I am doing my calculation at Gamma. So
I don't see anything wrong but the warning persists, even for the
tutorial example trf1_5 . I just wanted to see what you'd think: Do
you think there is a problem, or does it look safe to ignore this
error.

Thanks,
Turan.