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Previous "improvement" of the documentation wasn't correct 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6059 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2009-10-20 15:14:54 +00:00
parent 6444b26027
commit f9ec01b85a
2 changed files with 11 additions and 7 deletions
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12
PP/punch_plot.f90
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@ -24,7 +24,12 @@ SUBROUTINE punch_plot (filplot, plot_num, sample_bias, z, dz, &
! 4 the local density of electronic entropy
! 5 stm images
! 6 spin polarisation (rho(up)-rho(down))
! 7 square of a wavefunction (see below)
! 7 contribution of a selected wavefunction to
! the (pseudo-)charge density. Noncollinear
! case: contribution of the given state to
! the charge or to the magnetization along
! the direction indicated by spin_component
! (0 = charge, 1 = x, 2 = y, 3 = z ).
! 8 electron localization function (ELF)
! 9 no longer implemented, see plan_avg.f90
! 10 integrated local dos from emin to emax
@ -34,11 +39,6 @@ SUBROUTINE punch_plot (filplot, plot_num, sample_bias, z, dz, &
! Unfinished and untested:
! 14, 15, 16 The polarisation along x, y, z resp.
!
! plot_num=7 in the noncollinear case, plot the contribution of the
! given state to the charge or to the magnetization
! along the direction indicated by spin_component
! (0 = charge, 1 = x, 2 = y, 3 = z ).
! For Ultrasoft PPs and PAW, \psi^*(r)S\psi(r) is plotted
!
! The output quantity is written (formatted) on file filplot.
!

6
doc-def/INPUT_PP.def
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@ -72,7 +72,11 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pp.x
6 = spin polarization (rho(up)-rho(down))
7 = |psi|^2 (or \psi^*S\psi for Ultrasoft PPs and PAW)
7 = contribution of a selected wavefunction to the
(pseudo-)charge density. Noncollinear case:
contribution of the given state to the charge or
to the magnetization along the direction indicated
by spin_component (0 = charge, 1 = x, 2 = y, 3 = z )
8 = electron localization function (ELF)