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["½°®½­" <ajlu@ustc.edu>]

Dear Masayoshi,

       Thank you very much.

       I'm attaching a tar file here and appreciate your keen help.

      BTW, I'm a new user in the forum, I don't know how to attach files on that website. So I use my mailbox and you may reply to my mailbox directly.

        Regards.

        Jerry Lu

Reply From: ?????? <ajlu@ustc.edu>

> Dear ajlu@ustc.edu,
>
> Please let me reiterate,
> Kindly look into your log file, and let us know what ABINIT
> complained there (as "WARNINGS"). Especially, regarding "nstep 10"
> (SCF cycle reached 10 or not ? If nstep is increased to, say, 50, what
> will happen ?)
>
> Could you please peruse the Netiquette ?
> (You could attach some extracted results ... in gzip form)
>
> Regards,
> Masayoshi
>
> On 2006/05/23, at 12:28, ajlu@ustc.edu wrote:
>
> > Thanks a lot. But I need furhter help yet.
> >
> > 1. I used TM psp download from website. It works well for silicon band
> > structure calculation with 2 atoms (primitive cell). So I think it's
> > okey to be used here.
> >
> > 2. I did not pay attention to the special point label in the
> > reciprocal lattice. Thanks for your suggestion. In fact, I care for
> > the Gamma point mainly, but the problem just occurs at this point.
> >
> > 3. 32 k points are calculated, and there are no warnings in the log
> > file. So, I can not find other useful clues to revise my input file.
> >
> > Thanks again.
> >
> >
>
>

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