ABINIT Discussion Forums

Dear Users,
Greetings

When i use LDA+U, to calculate elastic constant, after running few minutes, I am getting the error like
Please suggest.
Best Regards
Sanjeev

- newkpt: read input wf with ikpt,npw= 2 6093, make ikpt,npw= 44 6093
- newkpt: read input wf with ikpt,npw= 12 6087, make ikpt,npw= 45 6087
- newkpt: read input wf with ikpt,npw= 11 6088, make ikpt,npw= 46 6088
- newkpt: read input wf with ikpt,npw= 10 6111, make ikpt,npw= 47 6111
- newkpt: read input wf with ikpt,npw= 9 6113, make ikpt,npw= 48 6113
- newkpt: read input wf with ikpt,npw= 8 6108, make ikpt,npw= 49 6108
- newkpt: read input wf with ikpt,npw= 7 6103, make ikpt,npw= 50 6103
- newkpt : prtvol=0 or 1, do not print more k-points.
inwffil: copy wf on disk file LaBi_WFGS


ctocprj.F90:368:BUG
cprj are badly allocated !
Action : contact ABINIT group.

.Delivered 126 WARNINGs and 0 COMMENTs to log file.

leave_new : decision taken to exit .

Do you mean that you are running rfstrs 3 with PAW? If so that's the problem, the strain perturbation is not coded with PAW. Only phonons and electric fields are coded with PAW at the present time.