Extract data from _DOS file

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.


Best regards,
Jinyu Zhang

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.