Skip to Content.
Sympa Menu

forum - [abinit-forum] Calculating Bandstructure of Pb

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] Calculating Bandstructure of Pb


Chronological Thread 
  • From: "Bartosz Slomski" <bartek1982@gmx.de>
  • To: forum@abinit.org
  • Subject: [abinit-forum] Calculating Bandstructure of Pb
  • Date: Sun, 26 Jul 2009 21:31:13 +0200

Hello,

i am very new to abinit. because i am actually mostly interested in
simulating bandstructure i started
with lesson 3, calculating the bandstructure of silicon.
so far, everything went fine. now, i wanted to check whether i could also
calculate the bandstructure
of lead. i only changed some input parameter of the t35.in file.
running t3x.files was okay, but the data were very similar to that of
silicon.
i noticed that by running t3x.files the code takes data from
/psps_for_tests/14si.pspnc to calculate
the bandstructure.

so how can i simulate data of pb?

in the next future i want also to simulate some bandstructures taking
spin-orbit splitting into accout as
the case for surface states. is that possible with abinit and how?

thanks for answering!

bartek
--
GRATIS für alle GMX-Mitglieder: Die maxdome Movie-FLAT!
Jetzt freischalten unter http://portal.gmx.net/de/go/maxdome01



Archive powered by MHonArc 2.6.16.

Top of Page