band structure of NiO FeO

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

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babalola
Posts: 4
Joined: Wed Sep 12, 2012 12:26 pm

band structure of NiO FeO

Post by babalola » Thu Oct 18, 2012 4:23 pm

Pls I am finding it difficult to plot the electronic band structure of NiO, FeO, MnO, and CoO using abinit. I need help and advice thank.

ilukacevic
Posts: 271
Joined: Sat Jan 16, 2010 12:05 pm
Location: Dept. of Physics, University J. J. Strossmayer, Osijek, Croatia
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Re: band structure of NiO FeO

Post by ilukacevic » Fri Oct 19, 2012 8:35 am

Hi!

You will have to be (much more) specific with explaining your problem. Did you read the netiquette?

Igor

babalola
Posts: 4
Joined: Wed Sep 12, 2012 12:26 pm

Re: band structure of NiO FeO

Post by babalola » Mon Oct 22, 2012 5:13 pm

Thanks for the reply. My problem is how and where to get the correct input parameters for NiO and also to know what to edith im the input file

ilukacevic
Posts: 271
Joined: Sat Jan 16, 2010 12:05 pm
Location: Dept. of Physics, University J. J. Strossmayer, Osijek, Croatia
Contact:

Re: band structure of NiO FeO

Post by ilukacevic » Tue Oct 23, 2012 8:49 am

Hi, again!

ABINIT has a very good documentation. Please, go through the tutorial and test directories (these are v1 to v6 in your abinit_xxx/tests directory). I am sure that you will find there all answers for your questions. Just be consistent and patient.

Igor

BAMGBOSE, M. K.
Posts: 87
Joined: Mon Jul 02, 2012 1:40 pm
Location: Department of Physics, Federal University of Agriculture Abeokuta, Nigeria.

Re: band structure of NiO FeO

Post by BAMGBOSE, M. K. » Sun Dec 30, 2012 8:28 am

Hi Babalola,
i believe u in Nigeria, pls send ur email to me on bamgbose@physics.unaab.edu.ng. I have been looking for a Nigerian who is using abinit.
Thanks.
M. K. Bamgbose (PhD),
Condensed Matter Physics.

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