ABINIT Discussion Forums

Dear All,

I want to perform Density of States calculations.I have mentioned the required input variable to print DOS as mentioned in the abinit website.Next i didn't know how to proceed further.
Where i can found script to plot it?

Waiting for your positive response.

You can use ORIGIN or excel to plot though it is less convenient.

Regards

Thank you Maxim, but i really thought that abinit has some utility to get the DOS plot.
Is it true?

Dear ssgmfh,

I think that abinit does not have any plotter for the DOS. If you're using linux, then you can very easily plot it using the xmgrace software (maybe you even got it with your linux distro).

Cheers!

Igor L.

Thanks ilukacevic,

I have tried plotting it via xmgrace and got successful in it.

Regards

Dear ssgmfh,

if you consider this topic successfully solved, please, put [SOLVED] in front of the topic title in your first post.

Igor L.

Hi,
if i use linux, to plot the DOS i use xmgrace. but if i have windows 7 64 bits what i use to do that?

hai

I got the density of states file. For plotting the _DOS file in Xmgrace, how can I convert the dos file into an agr file that opens in Xmgrace

Regards
Seba

Well, one could convert it. But it's much easier to import the wanted columns from the DOS file into Xmgrace (Data -> Import -> ASCII -> Load as Block data). That's it.

Best regards,

Igor

Dear Igor, how can i adjust my DOS plot to start from fermi level. I mean zero point on energy axis so that i will be able to estimate my band gap. Also so i want my energy to be in eV, is there anything i can do to input file to achieve this. Thanks

The problem is solved