File structure for the database:

data                       : Root dir for materials
data/MATNAME               : Dir for material with name MATNAME
data/MATNAME/XC_gs.traj    : traj file from relaxation with XC functional
data/MATNAME/XC_gs.gpw     : gpw file from ground state calculation with 
			     XC functional
data/MATNAME/XC_gs_full.gpw
			   : gpw file from ground state calculation with XC 
			     functional with more bands

data/MATNAME/XC_gs_spinpol.gpw
			   : gpw file from spin polarixedground state 
			   calculation with XC functional.

data/MATNAME/gw_ecutECUT   : Dir for G0W0 calculations with ecut=ECUT.

data/MATNAME/chi0	   : Dir for chi0 data files.

data/metals		   : Dir with metallic materials that are omitted so 
			     far.

data/magnetic		   : Dir with magnetic materials that are omitted so 
			     far.
			   

Structure files from Mohnish is in directory
	  	     	   : /home/niflheim2/mohpa/2D_Halides/MX2/Monolayer/

So far so good - gonna update this file when more info is available