ABINIT Discussion Forums

Hello all
I am trying to calculate phonon dispersion for a Clathrate system. I have relaxed the system and I am following ABINIT example for individual k point phonon calculations ( I mean doing the calculations for each k point separately).For all k points the first 3 datasets goes well but in case of dataset 4 after some warnings in error file it stops. The warnings are as below:
hdr_check: WARNING -
-P-0000 Restart of self-consistent calculation need translated wavefunctions.
-P-0000 Indeed, critical differences between current calculation and
-P-0000 restart file have been detected in:
-P-0000 * the number, position, or weight of k-points
-P-0000 * the format of wavefunctions (istwfk)


hdr_check: WARNING -
-P-0000 input nkpt= 256 not equal disk file nkpt= 128

WARNING : still subject to testing - especially symmetries.


-P-0000 cgwf3: WARNING -
-P-0000 New trial energy at line 4 = -2.098709E+02
-P-0000 is higher than former: -2.098709E+02


chkph3 : WARNING -
The dynamical matrix was incomplete : phonon frequencies may be wrong ...

So finally I have ddb of dataset 1 and ddb of dataset 3 but not ddb of dataset 4. Could some one please help me to fix the problem?
Best regards,Payam Norouzzadeh

What you have shown is a list of warnings. Abinit should continue and finish the dataset anyway. If not there must be an error message somewhere, or the job crashed or something...