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.<br> 2.Make a psedo file with the pseudopotential of Sr,N, and Cl.<br> 2.Run the scf file by using the command: pw.x&lt;Sr3NCl3.scf.in&gt;Sr3NCl3.scf.out<br> 3.Run the nscf file by using the command: pw.x&lt;Sr3NCl3.nscf.in&gt;Sr3NCl3.nscf.out<br> 4.Run the bands file by using the command: bands.x&lt;Sr3NCl3.bands.in&gt;Sr3NCl3.bands.out and using plotband.x plot the bands fig in xmgrace.<br> 5.Run the pdos file by using the command: projwfc.x&lt;Sr3NCl3.pdos.in&gt;Sr3NCl3.pdos.out<br> 6.Run the eps file by using the command: epsilon.x&lt;Sr3NCl3.eps.in&gt;Sr3NCl3.eps.out<br> 7.Run the jdos file by using the command: epsilon.x&lt;Sr3NCl3.jdos.in&gt;Sr3NCl3.jdos.out