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["Tonatiuh Rangel" <Tonatiuh.Rangel@uclouvain.be>]

Dear all,

I am having an error with optics paw:



I am using the output file of v5/t09.in to run conducti as it is indicated.
Following the tutorial in "users/linear_optics_paw.pdf" I use
for the conductivity part the following input file:

3 # option for the program conducti, telling it to do linear optics
calculation
sio # base name of files to read from ground state calculation
0.018 # scissors correction to apply, in Hartrees
0.009 0.0001 2.0 1000 # smearing width, minimum and maximum energies (all
in Ha)
                      # and number of points to compute



But when running conducti the code stops with the following error:
*** An error occurred in MPI_Comm_f2c
*** before MPI was initialized
*** MPI_ERRORS_ARE_FATAL (your MPI job will now abort)

Can anyone help me with this?

Best
Tonatiuh