DATA AVAILABILITY
	For "Electronic and optical properties of the hydrogen boride sheet from the  many-body perturbation theory"
	
DESCRIPTION
	This record contains the input and output Yambo and Quantum ESPRESSO files for simulations performed in this work.  
	For more information and discussion on the data, visit the article.
	
FILENAME AND DESCRIPTION
	./structures			xsf structures of HB optimized using different functionals (rev-vdW-DF2 and PBE) and pseudopotentials (USPP, NCPP)
	
	./1.rev-vdW-DF2(USP)	The DFT and GW input and output files using the lattice constants optimized by rev-vdW-DF2 functional and ultrasoft pseudopotentials.
	
	./2.PBE(NCP-SG15)		The DFT and GW input and output files using the lattice constants optimized by PBE functional and normconserving SG15 pseudopotentials.
	
	./3.PBE(USPP)			The DFT and GW input and output files using the lattice constants optimized by PBE functional and USPP pseudopotentials.
	
	
	In each directory, we provided the raw input and output files as follows
	
		./*/A*.Groundstate_electronic_structure		QE and Lobster input and output files for ground state electronic analysis.
		
	
		./*/B*.QP_bandstructure_and_bandgap		QE and Yambo input and output files to calculate G0W0 band structure and band gap using ppa or ff method. 
								Subdirectories are organized by k-mesh size including:
								- gw*.in, the GW input file;
								- r-*, the output report file;
								- o-*, the output file with quasiparticle energies.
								  DFT input and output files can be found in ./pwscf
	
		./*/C*.RPA_optical_spectra			Yambo input and output files to calculate optical spectra using RPA/PBE and RPA/G0W0 methods.
								Subdirectories are organized by k-mesh size including:
								- opt*x[y]*.in, the input file for optical spectra calculation along x [y] polarization;
								- r-*, the output report file;
								- o-*, the output file with mascroscopic dielectric matrix values.