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- 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
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- [abinit-forum] Calculating Bandstructure of Pb, Bartosz Slomski, 07/26/2009
- Re: [abinit-forum] Calculating Bandstructure of Pb, Josef Zwanziger, 07/26/2009
- Re: [abinit-forum] Calculating Bandstructure of Pb, Bartosz Slomski, 07/26/2009
- Re: [abinit-forum] Calculating Bandstructure of Pb, Josef Zwanziger, 07/26/2009
- Re: [abinit-forum] Calculating Bandstructure of Pb, Adam Sorini, 07/27/2009
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