which part of abinit i have to study?

Total energy, geometry optimization, DFT+U, spin....

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

which part of abinit i have to study?

Post by mina » Mon Nov 01, 2010 10:54 am

Hello,
i wana to calculate ground state of bifeo3.i have studied some part but i can't do it,
please tell me what tuturial i have to study?please answer me.
thankyou verry much.

raff
Posts: 23
Joined: Thu Oct 07, 2010 4:58 pm

Re: which part of abinit i have to study?

Post by raff » Wed Nov 03, 2010 2:51 pm

hi mina

in principle you have to study the lessons 1 and 2 in the tutorial,
I'm doing calculations like yours and I studied theses tutorials,
theses lessons are in

----/abinit-doc/tutorial/welcome.html

symrel is here:

----/abinit-doc/input_variables/varbas.html

more down in the "s" is symrel

raff

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