The ABINIT Users Mailing List ( CLOSED )

[Aldo Humberto Romero <ahromero@bethe.fis.puc.cl>]

Dear Abinit users,

I am doing a calculation for phonons at the Gamma point but I am finding
a problem during my calculation. At a given moment, the program is
asking for a Wavefunction whih does not exist!

read the dot wavefunctions from file: fileout_out_DS2_1WF15

My input files looks like:

# Phonons at Gamma point points at 0 GPa
     ndtset 3
     rfasr  2
#Ground state calculation
  kptopt1   1
  tolvrs1   1.0d-18
    iscf1   5
#Response Function calculation : d/dk
  rfelfd2   2
   rfdir2   1 0 0
    nqpt2   1
     qpt2   0.0 0.0 0.0
  getwfk2   -1
  kptopt2   2
    iscf2  -3
  tolwfr2   1.0d-22
#Response Function calculation : electric field perturbation and phonons
  rfphon3   1
 rfatpol3   1 2
  rfelfd3   3
   rfdir3   1 1 1
    nqpt3   1
     qpt3   0.0 0.0 0.0
  getwfk3  -2
  getddk3  -1
  kptopt3   2
  tolvrs3   1.0d-8
    iscf3   5


Any suggestion would be greatly appreciated!

Thanks

-aldo.

-------------------------------------------------------------------------
Prof. Aldo Humberto Romero          
IPICyT
Advanced Materials Department
Av. Venustiano Carranza 2425-A,
78270 San Luis Potosi, SLP, Mexico

email:  aldo@ipicyt.edu.mx
Phone:  (52)-444-8-33-54-11
Fax:    (52)-444-8-33-54-12
http://www.ipicyt.edu.mx/