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Makefile
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- postprocessing to calculate real and imaginary epsilon(w) and
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2006-06-29 11:02:00 +00:00 |
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add_shift_cc.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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add_shift_lc.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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add_shift_us.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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addusdens1d.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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atomic_wfc_nc_proj.f90
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Projwfc generalized to noncollinear and spin-orbit cases (still experimental).
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2006-01-20 14:28:51 +00:00 |
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average.f90
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improved windowing for macroscopic averages.
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2006-06-22 16:43:58 +00:00 |
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bands.f90
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Improved algorithm.
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2006-03-16 15:37:22 +00:00 |
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cft.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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cgracsc.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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chdens.f90
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if nfile > nfilemax, then reading filepp(N) or weight(N), N>nfilemax,
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2006-03-29 12:04:32 +00:00 |
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compute_sigma_avg.f90
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Mixing of scalar relativistic and fully relativistic pseudopotentials in
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2006-01-03 15:08:13 +00:00 |
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cube.f90
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- xlf doesn't like the syntax used to initialise arrays of strings
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2005-09-15 15:28:53 +00:00 |
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cubicspinsym.f90
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Projwfc generalized to noncollinear and spin-orbit cases (still experimental).
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2006-01-20 14:28:51 +00:00 |
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d_matrix_nc.f90
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All functions used to generate random number collected in a single module. Added two routines
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2006-01-25 04:24:49 +00:00 |
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d_matrix_so.f90
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Unused variables removed (gave problems with Nec)
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2006-03-09 13:19:45 +00:00 |
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dipole.f90
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Total dipole printed with the same sign of the electronic and ionic parts.
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2006-02-13 16:24:33 +00:00 |
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do_initial_state.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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do_shift_ew.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dos.f90
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- Variable cell: use Cesar Da Silva's version of the damping algorithm
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2006-02-01 17:56:16 +00:00 |
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dosg.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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efg.f90
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- Variable cell: use Cesar Da Silva's version of the damping algorithm
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2006-02-01 17:56:16 +00:00 |
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elf.f90
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error (..., -1) => infomsg
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2005-08-30 16:27:58 +00:00 |
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epsilon.f90
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- postprocessing to calculate real and imaginary epsilon(w) and
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2006-06-29 11:02:00 +00:00 |
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ggen1d.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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hexspinsym.f90
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Projwfc generalized to noncollinear and spin-orbit cases (still experimental).
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2006-01-20 14:28:51 +00:00 |
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initial_state.f90
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- Variable cell: use Cesar Da Silva's version of the damping algorithm
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2006-02-01 17:56:16 +00:00 |
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local_dos.f90
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plotnum=10 should work also in the noncollinear case. Check removed.
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2006-04-27 14:42:38 +00:00 |
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local_dos1d.f90
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Generalized to the spin-orbit case.
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2006-03-20 09:13:28 +00:00 |
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local_dos_mag.f90
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Added the possibility to plot the contribution of each orbital
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2006-01-03 15:26:21 +00:00 |
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openfil_pp.f90
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Old file format and related files deleted, makefiles updated accordingly
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2006-03-23 11:00:52 +00:00 |
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plan_avg.f90
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- compilation problem in plan_avg fixed
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2006-02-02 15:20:26 +00:00 |
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plot_io.f90
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Calculation of planar averages of wavefunctions moved out of pp.x
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2006-01-19 17:59:10 +00:00 |
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plot_whole_cell.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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plotband.f90
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g95 doesn't like any longer iargc to be defined external
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2005-06-22 10:08:02 +00:00 |
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plotrho.f90
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__AIX (IBM machines with essl) split into __AIX and __ESSL
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2006-03-16 18:04:33 +00:00 |
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poormanwannier.f90
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Oops...pmw.x wasn't working
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2006-03-14 13:54:39 +00:00 |
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postproc.f90
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cleanup; openfil_pp should disappear soon
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2006-03-14 09:24:00 +00:00 |
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projwfc.f90
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Some changes to account properly the time reversal symmetry (when present)
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2006-04-18 14:16:43 +00:00 |
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punch_plot.f90
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plotnum=10 should work also in the noncollinear case. Check removed.
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2006-04-27 14:42:38 +00:00 |
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pw2casino.f90
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- Variable cell: use Cesar Da Silva's version of the damping algorithm
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2006-02-01 17:56:16 +00:00 |
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pw2gw.f90
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Makefiles updated
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2006-03-07 14:00:34 +00:00 |
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pw2wannier90.f90
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close unit after use
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2006-05-08 08:13:09 +00:00 |
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pw_export.f90
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- init_pool moved to mp_global (it is now used by CP too)
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2006-03-26 17:14:44 +00:00 |
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start_postproc.f90
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more init_pool calls removed (already contained in startup)
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2004-03-05 17:42:40 +00:00 |
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stm.f90
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Calculation of planar averages of wavefunctions moved out of pp.x
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2006-01-19 17:59:10 +00:00 |
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stop_pp.f90
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iuwfc => iunwfc
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2004-12-07 08:25:16 +00:00 |
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sumpdos.f90
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Added check on the presence of a slash at the end of outdir everywhere.
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2006-01-31 17:22:28 +00:00 |
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voronoy.f90
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Calculation of planar averages of wavefunctions moved out of pp.x
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2006-01-19 17:59:10 +00:00 |
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wfdd.f90
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Updated wfdd from Manu
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2006-02-14 16:05:48 +00:00 |
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work_function.f90
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Generalized to non collinear case.
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2006-04-27 14:37:14 +00:00 |
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xctest.f90
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Modules/functionals.f90 modified.
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2005-11-02 15:42:06 +00:00 |
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xsf.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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