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quantum-espresso/PP
History
degironc 820349be9e Small bug fix in the calculation of initial state 
core-level shifts:Wrong dimension in a reduce call.
Thanks to Laura Bianchettin


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3695 c92efa57-630b-4861-b058-cf58834340f0
 		2007-01-18 21:21:42 +00:00
..
Makefile Added a routine that writes on file the matrix elements of the p operator. 2006-12-06 10:39:16 +00:00
add_shift_cc.f90 Small bug fix in the calculation of initial state 2007-01-18 21:21:42 +00:00
add_shift_lc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
add_shift_us.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
addusdens1d.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
atomic_wfc_nc_proj.f90 Projwfc generalized to noncollinear and spin-orbit cases (still experimental). 2006-01-20 14:28:51 +00:00
average.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
bands.f90 Added a routine that writes on file the matrix elements of the p operator. 2006-12-06 10:39:16 +00:00
cft.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cgracsc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
chdens.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
compute_ppsi.f90 An old version of the compute_ppsi.f90 routine was committed. 2006-12-06 15:43:27 +00:00
compute_sigma_avg.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
cube.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
cubicspinsym.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d_matrix_nc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d_matrix_so.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dipole.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
do_initial_state.f90 Shorthand for Rydberg is Ry, not ryd 2006-10-23 12:32:54 +00:00
do_shift_ew.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dos.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dosg.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
efg.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
elf.f90 error (..., -1) => infomsg 2005-08-30 16:27:58 +00:00
epsilon.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
ggen1d.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
hexspinsym.f90 Projwfc generalized to noncollinear and spin-orbit cases (still experimental). 2006-01-20 14:28:51 +00:00
initial_state.f90 getenv replaced by wrapper get_env, preprocessed only in a single file 2006-10-11 14:42:42 +00:00
local_dos.f90 Wavefunctions in pwscf are stored also for the noncollinear case 2006-11-27 12:47:25 +00:00
local_dos1d.f90 Wavefunctions in pwscf are stored also for the noncollinear case 2006-11-27 12:47:25 +00:00
local_dos_mag.f90 Wavefunctions in pwscf are stored also for the noncollinear case 2006-11-27 12:47:25 +00:00
make.depend More patches from Axel: 2006-12-14 08:53:47 +00:00
openfil_pp.f90 unit name change: iunat => iunsat (it contains S * atomic wfc) 2006-11-05 02:47:07 +00:00
plan_avg.f90 Wavefunctions in pwscf are stored also for the noncollinear case 2006-11-27 12:47:25 +00:00
plot_io.f90 Calculation of planar averages of wavefunctions moved out of pp.x 2006-01-19 17:59:10 +00:00
plot_whole_cell.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
plotband.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
plotproj.f90 Small fix and changes. In some cases plotband did not find all the 2006-09-06 10:03:51 +00:00
plotrho.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
poormanwannier.f90 More patches by Axel: all occurrences of "index" replaced by "idx". 2006-12-01 14:41:55 +00:00
postproc.f90 getenv replaced by wrapper get_env, preprocessed only in a single file 2006-10-11 14:42:42 +00:00
projwfc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
punch_plot.f90 Case plot_num=11 was not working (incorrect call to v_h) 2006-11-15 18:29:01 +00:00
pw2casino.f90 More patches by Axel: all occurrences of "index" replaced by "idx". 2006-12-01 14:41:55 +00:00
pw2gw.f90 27.21 => autoev (AXEL) 2007-01-08 11:50:55 +00:00
pw2wannier90.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
pw_export.f90 Small changes by Andrea Ferretti: cleanup of unused variable in epsilon.f90, 2006-10-16 14:57:31 +00:00
qexml.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
smallgk.f90 Now bands.x can classify the bands according to the irreducible 2006-08-22 17:01:13 +00:00
start_postproc.f90 more init_pool calls removed (already contained in startup) 2004-03-05 17:42:40 +00:00
stm.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
stop_pp.f90 iuwfc => iunwfc 2004-12-07 08:25:16 +00:00
sumpdos.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
sym_band.f90 Wavefunctions in pwscf are stored also for the noncollinear case 2006-11-27 12:47:25 +00:00
voronoy.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
wfdd.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
work_function.f90 1) v_of_rho has been rearranged in order to reduce the number of FFTs per step. 2006-07-07 20:16:45 +00:00
write_p_avg.f90 An old version of the compute_ppsi.f90 routine was committed. 2006-12-06 15:43:27 +00:00
xctest.f90 Modules/functionals.f90 modified. 2005-11-02 15:42:06 +00:00
xsf.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00