Data and code for Sr3NCl3

Procedure for using data and code:

1.use quantum espresso software in linux operating system for running all the code.
2.Make a psedo file with the pseudopotential of Sr,N, and Cl.
2.Run the scf file by using the command: pw.x<Sr3NCl3.scf.in>Sr3NCl3.scf.out
3.Run the nscf file by using the command: pw.x<Sr3NCl3.nscf.in>Sr3NCl3.nscf.out
4.Run the bands file by using the command: bands.x<Sr3NCl3.bands.in>Sr3NCl3.bands.out and using plotband.x plot the bands fig in xmgrace.
5.Run the pdos file by using the command: projwfc.x<Sr3NCl3.pdos.in>Sr3NCl3.pdos.out
6.Run the eps file by using the command: epsilon.x<Sr3NCl3.eps.in>Sr3NCl3.eps.out
7.Run the jdos file by using the command: epsilon.x<Sr3NCl3.jdos.in>Sr3NCl3.jdos.out