Data and code for Sr3NI3

Procedure of using all codes: 1.use quantum espresso software in linux operating system for running all the codes. 2.Make a psedo file with the pseudopotential of Sr,N, and I. 2.Run the scf file by using the command: pw.xSr3NI3.scf.out 3.Run the nscf file by using the command: pw.xSr3NI3.nscf.out 4.Run the bands file by using the command: bands.xSr3NI3.bands.out and using plotband.x plot the bands fig in xmgrace. 5.Run the pdos file by using the command: projwfc.xSr3NI3.pdos.out 6.Run the eps file by using the command: epsilon.xSr3NI3.eps.out 7.Run the jdos file by using the command: epsilon.xSr3NI3.jdos.out