Heusler compounds

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

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hameed1987
Posts: 41
Joined: Sat Jun 22, 2019 12:45 pm
Location: The UK

Heusler compounds

Post by hameed1987 » Sun Aug 25, 2019 3:37 pm

Dear All,
Hope that you all have a nice time.

I would like to ask a general question, could we use Abinit to study the properties of Heusler compounds?
Could any one of you please give me some infortmation about how to provide an input file for these compounds

Regards
Hameed
Dear All,


WR
Hameed

NPike
Posts: 34
Joined: Fri Mar 18, 2016 1:15 pm

Re: Heusler compounds

Post by NPike » Mon Oct 07, 2019 6:29 pm

Hello hameed1987,

You can use Abinit to study Heusler compounds. To determine how to use abinit and what properties can be calculated I direct you to the abinit tutorials page https://docs.abinit.org/tutorial/

Have a great day!

-Nick
Nicholas A. Pike
Research Scientist

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