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giannozz f58f7ad1dd Minor cleanup in xml data file, minor pw-cp merge (calculation of number 
of atomic wavefunctions), minor documentation updates and corrections


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7507 c92efa57-630b-4861-b058-cf58834340f0
 		2011-02-17 21:27:28 +00:00
..
Makefile All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
add_shift_cc.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
add_shift_lc.f90 More cft/cft3s => fwfft/invfft conversion. May or may not work. 2010-08-27 08:34:27 +00:00
add_shift_us.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
addusdens1d.f90 More variable harmonization: ig1,ig2,ig3 => mill 2010-12-05 13:07:09 +00:00
atomic_wfc_nc_proj.f90 More variable harmonization: ig1,ig2,ig3 => mill 2010-12-05 13:07:09 +00:00
average.f90 Almost final merge of G-vector generation between PW and CP: 2011-01-05 16:04:54 +00:00
bands.f90 Format for number of k-points extended to i6 2010-08-14 10:55:34 +00:00
cft.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
cgracsc.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
chdens.f90 Almost final merge of G-vector generation between PW and CP: 2011-01-05 16:04:54 +00:00
compute_ppsi.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
compute_sigma_avg.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
cube.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
cubicspinsym.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
d_matrix_nc.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
d_matrix_so.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
do_initial_state.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
do_shift_ew.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
dos.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
dosg.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
elf.f90 Minor cleanup in xml data file, minor pw-cp merge (calculation of number 2011-02-17 21:27:28 +00:00
epsilon.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
ggen1d.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
hexspinsym.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
initial_state.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
local_dos.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
local_dos1d.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
local_dos_mag.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
make.depend Almost final merge of G-vector generation between PW and CP: 2011-01-05 16:04:54 +00:00
openfil_pp.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
paw_postproc.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
pawplot.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
plan_avg.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
plot_whole_cell.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
plotband.f90 Plotband now prints information on the kx coordinate of the high symmetry 2010-08-29 05:38:23 +00:00
plotproj.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
plotrho.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
poormanwannier.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
postproc.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
projwfc.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
punch_plot.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
pw2blip.f90 pw2blip.f90 - remove unnecessary symbol from PUBLIC list to fix compiling problem on Cray 2010-07-19 09:05:58 +00:00
pw2casino-MDloop.sh Updated PP/pw2casino-MDloop.sh script for QMC-MD loop source code update. 2010-11-26 21:47:13 +00:00
pw2casino.f90 Compilation problem fixed 2011-01-25 08:16:38 +00:00
pw2casino_write.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
pw2gw.f90 Subroutines gen_us_dij and gen_us_vkb0, apparently used only in pw2gw, 2011-01-05 14:37:38 +00:00
pw2wannier90.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
pw_export.f90 More variable harmonization: ig1,ig2,ig3 => mill 2010-12-05 13:07:09 +00:00
qexml.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
qexml_example.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
smallgk.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
stm.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
stop_pp.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
sumpdos.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
sym_band.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
wannier_ham.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
wannier_hamiltonians.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
wannier_plot.f90 More variable unification: module gvecs and gsmooth merged (new name: gvecs), 2010-12-24 10:19:22 +00:00
wannier_u_matrix.f90 Added k-resolved dos (GuidoF) + source "normalization" 2010-06-14 13:45:31 +00:00
wannier_umatrix_subroutines.f90 Minor fixes for build process (N. Nemec) 2010-07-06 11:02:58 +00:00
wfdd.f90 comment cleanup 2010-08-20 06:59:34 +00:00
work_function.f90 Forgotten in previous commit 2010-10-26 08:29:11 +00:00
write_p_avg.f90 I forgot one directory in previous commit 2010-12-22 21:45:34 +00:00
xctest.f90 make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
xsf.f90 Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00