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[ha sa <ha_sadi@yahoo.com>]

Dear abinit users,

        I am a new user of abinit,I am trying to calculate the phonon spectra of Iridium.
following  lesson  RF2  of the Tutorial, the calculations went successfully for AlAs and Al. But for Ir in the run of trf2_1.in I got the following error

 

memana : ERROR -
  Test failed to allocate    3324.697 Mbytes
  It is not worth to continue
  Action : modify input variable to fit the available memory.
  or increase limit on available memory.

leave_new : decision taken to exit ...
1

end of the error

You can also find the input file in the attachment.

         I am using the binary ex! ecutable (abinis)  version 4.6.5 on Pentium4 PC ,using red hat Linux version 9.

         Is the error because the Iridium is relatively heavy ,or the cutoff energy is large ,or the k-mesh is large, actually I have to use these values for convergence, also in the error there is a suggestion to increase limit on available memory, how can I do that?

         What is the problem in the run I made? Can I run RF calculations for Ir using the facilities I mentioned?

Regards
Hanan.

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Attachment: trf2_1.in
Description: 499184260-trf2_1.in