1&input_pw2bgw
2   prefix = 'silicon'       ! same as in espresso
3   real_or_complex = 1      ! 1 for real or 2 for complex
4   wfng_flag = .true.       ! write wavefunction in G-space
5   wfng_file = 'WFN'        ! wavefunction file name
6   wfng_kgrid = .false.     ! overwrite k-grid in wavefunction file
7   wfng_nk1 = 4             ! ( if espresso input file contains the
8   wfng_nk2 = 4             !   manual list of k-points, the k-grid
9   wfng_nk3 = 4             !   parameters in espresso are set to zero;
10   wfng_dk1 = 0.5           !   since Sigma and absorption both need to know
11   wfng_dk2 = 0.5           !   the k-grid dimensions, we patch these
12   wfng_dk3 = 0.5           !   parameters into the wave-function file )
13   wfng_occupation = .true. ! overwrite occupations in wavefunction file
14   wfng_nvmin = 1           ! ( set min/max valence band indices; identical to
15   wfng_nvmax = 4           !   scissors operator for LDA-metal/GW-insulator )
16   rhog_flag = .true.       ! write charge density in G-space
17   rhog_file = 'RHO'        ! charge density file name
18   vxcg_flag = .true.       ! write exchange-correlation potential in G-space
19   vxcg_file = 'VXC'        ! exchange-correlation potential file name
20   vxc0_flag = .true.       ! write Vxc(G=0)
21   vxc0_file = 'vxc0.dat'   ! Vxc(G=0) file name
22   vxc_flag = .false.       ! write matrix elements of Vxc
23   vxc_file = 'vxc.dat'     ! Vxc matrix elements file name
24   vxc_integral = 'g'       ! compute Vxc matrix elements in R- or G-space
25   vxc_diag_nmin = 0        ! min band index for diagonal Vxc matrix elements
26   vxc_diag_nmax = 0        ! max band index for diagonal Vxc matrix elements
27   vxc_offdiag_nmin = 0     ! min band index for off-diagonal Vxc matrix elements
28   vxc_offdiag_nmax = 0     ! max band index for off-diagonal Vxc matrix elements
29   input_dft = 'sla+pz'     ! same as in espresso
30   exx_flag = .false.       ! set to .true. for hybrids
31   vnlg_flag = .false.      ! write Kleinman-Bylander projectors in G-space
32   vnlg_file = 'KBproj'     ! Kleinman-Bylander projectors file name
33   vxc_zero_rho_core = .true. ! NLCC: remove core charge when calculating Vxc
34/
35
36# above are typical values for Si. below are the defaults.
37   prefix = 'prefix'
38   real_or_complex = 2
39   wfng_flag = .false.
40   wfng_file = 'WFN'
41   wfng_kgrid = .false.
42   wfng_nk1 = 0
43   wfng_nk2 = 0
44   wfng_nk3 = 0
45   wfng_dk1 = 0.0
46   wfng_dk2 = 0.0
47   wfng_dk3 = 0.0
48   wfng_occupation = .false.
49   wfng_nvmin = 0
50   wfng_nvmax = 0
51   rhog_flag = .false.
52   rhog_file = 'RHO'
53   vxcg_flag = .false.
54   vxcg_file = 'VXC'
55   vxc0_flag = .false.
56   vxc0_file = 'vxc0.dat'
57   vxc_flag = .false.
58   vxc_file = 'vxc.dat'
59   vxc_integral = 'g'
60   vxc_diag_nmin = 0
61   vxc_diag_nmax = 0
62   vxc_offdiag_nmin = 0
63   vxc_offdiag_nmax = 0
64   input_dft = 'sla+pz'
65   exx_flag = .false.
66   vnlg_flag = .false.
67   vnlg_file = 'VNL'
68   vxc_zero_rho_core = .true.
69