The ABINIT Users Mailing List ( CLOSED )

[jiangx3@rpi.edu]

Hi everybody,

I want to ask a question about abinit.

I am calculating the gw energy of graphene and there is an error that I
can not figure out what it is talking about. It may be in the screening
calculation. The error is stated as following:

 get_ng0sh : ERROR -
  Not able to found umklapp G0 vector among ***** vectors
  increase mg0sh such as k1-k2 = kf+G0, present value = 25
  point1 =    1  6.66666667E-02  3.33333333E-02  0.00000000E+00
  point2 =    2 -1.33333333E-01 -6.66666667E-02  0.00000000E+00

If I did not use shiftk, everything is OK and after I use Shiftk the
problem comes out.


Thanks and best regards,
Xueping, Jiang