Data and Code of RbSnX3

We have used the Quantum Espresso software in Linux operating system to running all the code.1. By making a psedo file with the pseudopotentials of Rb, Sn, and I/Br/Cl.

2. Then we have coded the codes in appropriate manner.

3. Then we have run the scf file by using the command: pw.xRbSnI3.scf.out/RbSnBr3.scf.out/RbSnCl3.scf.out

4. Then we have run the nscf file by using the command: pw.xRbSnI3.nscf.out/RbSnBr3.nscf.out/RbSnCl3.nscf.out

5. Then we have run the bands file by using the command: bands.xRbSnI3.bands.out/RbSnBr3.bands.out/RbSnCl3.bands.out and using plotband.x to plot the bands fig in xmgrace.

6. Then we have run the pdos file by using the command: projwfc.xRbSnI3.pdos.out/RbSnBr3.pdos.out/RbSnCl3.pdos.out

7. Then we have run the eps file by using the command: epsilon.xRbSnI3.eps.out/RbSnBr3.eps.out/RbSnCl3.eps.out

After that, we have to get the values from SCAPS-1D software and plot the given data on this file using Origin Pro 2018 software.