Extract data from _DOS file

Running Abinit Python interfacing : Abipy ecosystem
1

Dear all,

I’m a novice in DFT computing. When I learned the Spin tutorial of abinit, I encountered some problems. I want to get the data from the _DOS file through abipy or other python methods in order to customize the drawing, but I don’t know what to do.

After I checked the tspin_1o_DS1_DOS file, I found that it contains the data I need for drawing, but I don’t know how to extract them. I want to find functions like get_dataframe to extract data, but I haven’t found them. I hope you can tell me how to use the abipy or other python methods to extract data. (It seems that my computer cannot install xmgrace at present, and I want my pictures to have the same style, so I want to be able to process it in Python.)

PS: tspin_1o_DS1_DOS file seems to have only one column, in which all data are separated by spaces, so I cannot use python subscripts to retrieve.

I have attached the relevant pictures and documents below.

image
image1660×2148 465 KB

https://github.com/abinit/abinit/files/10319817/tspin_1o_DS1_DOS.zip

Best regards,
Jinyu Zhang

2

Dear Jinyu Zhang,

To learn how to use abipy to generate various plots, you can look on the abipy web page. In particular, for spin-polarized fatbands and density of states, check out this page.

Let me know if this works.