The ABINIT Users Mailing List ( CLOSED )

[Xiaohong Zheng <zheng@chips.ncsu.edu>]

Hello, Dear Thanusit,

Thank you very much for help. Yes, I am also sure now that the problem 
is in the pseudopotential files. For some types of pseudopotentials, it 
can not output the KSS file.

And many thanks to all other friends who try to help me on this problem.

Sincerely,
Xiaohong

ธนูสิทธิ์ บุรินทร์ประโคน wrote:
> Dear Xiaohong
>
> Sorry I though you were working on Si.
>
> What are the pseudopotential files you used?  The crash may be caused by
> the  incompatability between the  pseudopotential files and KSS
> generation  routine. With 01h.pspgth for H and 14Si.pspgth for Si, I got
> the same problem.  But when I used the 14-Si.LDA.fhi for Si, and
> 01-H.LDA.fhi for H, the  run using your input file with nbandkss1 = 50
> seemed to go further than the current crashing point. 
>
>
> Kind Regards,
> Thanusit Burinprakhon  
>
>