mirror of https://gitlab.com/QEF/q-e.git
56 lines
2.6 KiB
Plaintext
56 lines
2.6 KiB
Plaintext
This is the available documentation for the Quantum-ESPRESSO package,
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in addition to what is available on the QE wiki
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(http://www.quantum-espresso.org/wiki/index.php/Main_Page):
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BUGS List of bugs fixed - only bugs that have been present
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in some "official" release are listed
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INPUT_* Description of input parameters for:
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INPUT_CP Car-Parrinello first-principle code (cp.x)
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INPUT_CPPP Car-Parrinello postprocessing (cppp.x)
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INPUT_PW PWscf self-consistent code (pw.x)
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INPUT_PP Postprocessing code (pp.x)
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INPUT_BANDS Band reordering and plotting utility (bands.x)
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INPUT_PROJWFC Projection over atomic wfcs (projwave.x)
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INPUT_DOS Density of state calculation (dos.x)
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INPUT_PH Phonon calculations (ph.x)
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INPUT_GIPAW NMR chemical shifts with GIPAW (gipaw.x)
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INPUT_Gamma Normal-mode calculations (phcg.x)
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INPUT_D3 3rd-order energy derivatives (d3.x)
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INPUT_PWCOND Ballistic conductance (pwcond.x)
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INPUT_pw_export pw_export utility (pw_export.x)
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INPUT_WFDD Dynamics with Wannier functions (cp.x)
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INPUT.HOWTO Hints on how to choose simulation parameters for
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CP with Car-Parrinello dynamics
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eps_man.tex Dielectric function calculation with RPA (epsilon.x)
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README.AUTOPILOT Notes on the "autopilot" feature, by Targacept, Inc.
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nomefile.upf Naming convention for UPF pseudopotentials
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The UPF format is described in ../upftools/UPF
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constraints_HOWTO.tex
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ChangeLog ChangeLog for the Quantum-ESPRESSO suite after aug. 2004
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NO LONGER UPDATED: use script "cvs2cl.pl" in the main
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directory to get an updated ChangeLog from CVS
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ChangeLog.pw ChangeLog before aug 2004 for PWscf
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ChangeLog.cp ChangeLog before aug 2004 for CP
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Documentation for the "atomic" pseudopotential generation code
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can be found in directory ../atomic_doc/
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All the material included in this distribution is free software;
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you can redistribute it and/or modify it under the terms of the GNU
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General Public License as published by the Free Software Foundation;
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either version 2 of the License, or (at your option) any later version.
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These programs are distributed in the hope that they will be useful, but
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WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
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or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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675 Mass Ave, Cambridge, MA 02139, USA.
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