mirror of https://gitlab.com/QEF/q-e.git
002bb2ae2b
moments have been changes i_cons, mcons have been removed from input (still there in the code) added variables: constrained_magnetization='none','atomic','atomic direction','total' fixed_magnetization(3) (value of the total magnetization to be fixed) B_field are introduced (if non zero is the value of the added magnetic field) for 'atomic' or 'atomic direction' constraint the input magnetization as defined by starting_magnetization, angle1, angle2 or the cosine of angle1 is used to define the constraint. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1747 c92efa57-630b-4861-b058-cf58834340f0 |
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|---|---|---|
| .. | ||
| BUGS | ||
| CREDITS | ||
| ChangeLog | ||
| ChangeLog.cp | ||
| ChangeLog.pw | ||
| INPUT.HOWTO | ||
| INPUT_CHDENS | ||
| INPUT_CP | ||
| INPUT_D3 | ||
| INPUT_EFG | ||
| INPUT_FPMD | ||
| INPUT_Gamma | ||
| INPUT_PH | ||
| INPUT_PP | ||
| INPUT_PROJWFC | ||
| INPUT_PW | ||
| INPUT_PWCOND | ||
| INPUT_RAM | ||
| README | ||
| README.WANNIER | ||
| democritos.eps | ||
| democritos.png | ||
| iotk_manual.txt | ||
| pwscf.eps | ||
| pwscf.png | ||
| refman.tex | ||
| users-guide.tex | ||
README
This is the available documentation for the Quantum-ESPRESSO package:
manual.tex User's Guide for Quantum-ESPRESSO
requires html.sty (from latex2html package): if not
available, comment "\usepackage{html}" and uncomment
"\def\htmladdnormallink#1#2{#1}"
refman.tex Reference (technical) manual for PWscf: little more
than a template at present
INPUT_FPMD Input parameters for FPMD
INPUT_CP As above for CP (possibly obsolete)
INPUT.HOWTO Hints on how to choose simulation parameters for CP/FPMD with
Car-Parrinello dynamics
INPUT_PW Input parameters for PWscf (pw.x)
INPUT_PP Input parameters for postprocessing (pp.x)
INPUT_PROJWFC Input parameters for postprocessing (projwave.x)
INPUT_CHDENS Input parameters for plotting (chdens.x)
INPUT_PH Input parameters for phonon calculations (ph.x)
INPUT_Gamma Input parameters for normal-mode calculations (phcg.x)
INPUT_D3 Input parameters for 3rd-order derivatives (d3.x)
INPUT_EFG Input parameters for electric-field gradient calc (efg.x)
INPUT_NC Input parameters for noncolinear magnetism (pwnc.x)
INPUT_PWCOND Input parameters for ballistic conductance (pwcond.x)
INPUT_RAM Input parameters for Raman calculation (raman.x)
ChangeLog ChangeLog for the Quantum-ESPRESSO suite after aug. 2004
ChangeLog.pw ChangeLog before aug 2004 for PWscf
ChangeLog.cp ChangeLog before aug 2004 for CP and FPMD
BUGS List of bugs fixed - only bugs that have been present
in some "official" release are listed
CREDITS Who did what
pwscf.png, pwscf.eps, democritos.png, democritos.eps
PWscf and DEMOCRITOS logos -- included from manual.tex
All the material included in this distribution is free software;
you can redistribute it and/or modify it under the terms of the GNU
General Public License as published by the Free Software Foundation;
either version 2 of the License, or (at your option) any later version.
These programs are distributed in the hope that they will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
675 Mass Ave, Cambridge, MA 02139, USA.