Skip to Content.
Sympa Menu

forum - Re: Re: Calculation of piezoelectric tensor of PbTiO3 by ABINIT

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: Re: Calculation of piezoelectric tensor of PbTiO3 by ABINIT


Chronological Thread 
  • From: yukihiro_okuno@fujifilm.co.jp
  • To: forum@abinit.org
  • Subject: Re: Re: Calculation of piezoelectric tensor of PbTiO3 by ABINIT
  • Date: Fri, 21 Jan 2005 07:53:01 +0100

Dear Dr Wu.

Thank you for your reply.

ABINIT gives the almost same accuracy to the FLAPW
and reasonable results.
If you permit, Can I see your ABINIT input file?
Because I want to know why my input file doesn't give
the different valurs from yours's (DFPT) and what is wrong in
my input file previously attached in the mailing list.
I Also want to know how to calculate the piezoelectric tensor
from the finite different(FD).

Sincerely yours.

Yukihiro Okuno.



Archive powered by MHonArc 2.6.16.

Top of Page