Purpose of bgw2pw.x: Converts BerkeleyGW WFN and RHO files to the format of pw.x. NO LONGER WORKING AFTER v.6.3. This can be useful, for example, if you generate the plane waves on top of the valence bands and want to diagonalize them in pw.x. Look at the documentation for SAPO code in BerkeleyGW for more information. bgw2pw.x reads common parameters from file prefix.save/data-file.xml and writes files prefix.save/charge-density.dat (charge density in R-space), prefix.save/gvectors.dat (G-vectors for charge density and potential), prefix.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point), prefix.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and prefix.save/K$n/gkvectors.dat (G-vectors for nth k-point). bgw2pw.x doesn't modify file prefix.save/data-file.xml so make changes to this file manually (for example, you will need to change the number of bands if you are using bgw2pw.x in conjunction with SAPO code in BerkeleyGW). Structure of the input data: ============================ &INPUT_BGW2PW ... / MANDATORY prefix of files saved by program pw.x './' the scratch directory where the massive data-files are written 2 1 | 2 1 for real flavor of BerkeleyGW (for systems with inversion symmetry and time-reversal symmetry) or 2 for complex flavor of BerkeleyGW (for systems without inversion symmetry and time-reversal symmetry) .FALSE. read wavefunctions in G-space from BerkeleyGW WFN file 'WFN' name of BerkeleyGW WFN input file. Not used if wfng_flag = .FALSE. 0 number of bands to write (0 = all). Not used if wfng_flag = .FALSE. .FALSE. read charge density in G-space from BerkeleyGW RHO file 'RHO' name of BerkeleyGW RHO input file. Not used if rhog_flag = .FALSE.