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["Luis Díaz" <ledssiul@gmail.com>]

Dear Alaska,

Maybe this will not solve your problem, but why  did you decide to use acell=3*11.57646? Is it the experimental cell parameter or you did a relaxation study? maybe your structure is unstable under this geometry... Something true is that you obtained "NaN" in your frequency values (*_4.out file, line 287).

Regards,

Luis

On 8/17/07, asubedi <asubedi@gmail.com> wrote:

Dear all,

I have been doing convergence study with respect to k points and
number of response functions for electron-phonon calculation of AlSb,
which has a zinc blende structure. I started with response functions
calculated at irreducible points generated by option ngkpt 2 2 2 and
kptopt 1.Then I did calculations with response functions calculations
at irreducible points generated by option ngkpt 4 4 4. However, when I
repeat the calculations with response functions calculated at
irreducible points generated by ngkpt 6 6 6 or 8 8 8, I get imaginary
phonon linewidths. Could anyone please tell me what is wrong. I have
attached *_1.in and *_4.in files (although _1.in file is incomplete  as
response function calculation at 5 q points are done in another file).

Thanks,
Alaska