ABINIT Discussion Forums

Hi everybody
I am trying to calculate the band structure of WZ-GaN using GW method, but after a while of running it stopes and gives me the following warnings , comment and error:
!WARNING
message: |
The value ecutwfn= 0.400000E+01 given in the input file leads to
the same values for nshwfn and npwwfn as ecutwfn= 0.372125E+01
This value will be adopted for the calculation.

src_file: m_gsphere.F90
src_line: 2024
...

setshells : ecut_trial = 6.00

--- !WARNING
message: |
The value ecuteps= 0.600000E+01 given in the input file leads to
the same values for nsheps and npweps as ecuteps= 0.589536E+01
This value will be adopted for the calculation.

src_file: m_gsphere.F90
src_line: 2024
...


--- !COMMENT
message: |
One of the three variables ecutsigx, npwsigx, or nshsigxcomme
must be non-null. Returning.
src_file: m_gsphere.F90
src_line: 1906
...

--- !ERROR
message: |
Potential-based CG line minimization not converged after13 restarts.
Action : read the eventual warnings about lack of convergence.
Some might be relevant. Otherwise, raise nband. Returning
src_file: newvtr.F90
src_line: 574
...


leave_new : decision taken to exit ...

--- !ERROR
message: |
Potential-based CG line minimization not converged after13 restarts.
Action : read the eventual warnings about lack of convergence.
Some might be relevant. Otherwise, raise nband. Returning
src_file: newvtr.F90
src_line: 574
...

I've tried to change nbands but it was useless
anyone has anyidea ?? plz

Nawzad