9b658b778a
[skip-CI] Documentation regenerated
2020-11-23 08:41:17 +00:00
04c2d90c2b
Do not keep two versions of the same file
2020-11-06 15:19:03 +00:00
8f03597363
Phonon documentation updated and completed
2020-10-06 22:20:38 +02:00
52d65b3cdb
small update to documentation
2020-09-17 16:42:01 +00:00
aa272a9444
*.pdf, html, txt files updated
2020-07-17 10:44:05 +02:00
32a6dbab24
VERSION=git changed to VERSION=6.6 in Makefiles. The documentation machinery
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is completely crazy: one has to change the version number in 1001 places
2020-07-17 10:32:01 +02:00
536f454e14
Version number updated to 6.6
2020-07-17 09:32:53 +02:00
f1ef66ef0a
Add docs on e-ph self-energy
2020-05-03 13:49:43 +09:00
501b78cb04
Implementation of Fourier interpolation of phonon dvscf
2020-03-27 10:38:49 +00:00
d55ee66124
Updated the reference for the DFPT+U paper.
2020-02-28 11:01:32 +01:00
2af0e629ab
Revert "Merge branch 'revert-c25e9f31' into 'develop'"
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This reverts merge request !775
2020-02-01 09:14:20 +00:00
a91d32bc5f
Revert "Merge branch 'develop' of gitlab.com:QEF/q-e into develop"
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This reverts commit c25e9f3126
2020-02-01 08:58:44 +00:00
3c11cebe3b
Merge branch 'develop' into 'develop'
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EPA documentation
See merge request QEF/q-e!763
2020-01-27 20:25:28 +00:00
32cd912137
Created documentation for the EPA code, renamed some internal variables to improve readability.
2020-01-27 08:39:52 -08:00
d90b7f6281
Documentation updated
2019-11-28 11:06:47 +01:00
001faed389
Merge branch 'fix_ph' into 'develop'
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Minor changes to the documentation
See merge request QEF/q-e!620
2019-10-16 10:00:40 +00:00
f57e75f395
Minor changes to the documentation
2019-10-16 11:33:23 +02:00
7f65fd2414
Electron-Phonon nsigma fix
2019-10-03 15:06:34 +00:00
8846383a5f
resolved merge request conflict in PHonon/PH/phq_readin.f90, reading the &inputph namelist
2019-08-07 11:10:42 +02:00
54e5239530
add the diagonalization option to ph.x: allows changing the diagonalization method in the non-scf calcs
2019-08-06 00:55:15 +02:00
d860972620
[Skip-CI] Limitations of Gamma-only phonon code better specified
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make.depend updated
2019-05-24 15:35:56 +02:00
bd0e3e3e69
Phonon user guide updated
2019-04-17 09:19:42 +02:00
13b2fe1754
[Skip-CI] updating documentation pdf files
2019-03-04 13:55:13 +01:00
af580b5874
A few more changes so that "make gui" creates a functional PWgui.
2019-03-01 23:44:12 +01:00
6ab7abb6f6
html and txt manuals updated
2019-03-01 18:00:27 +01:00
6834a502ef
[Skip-CI] Obsolete version 'svn' replaced by 'git'; various .PHONY of questionable
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usefulness, referring to no longer existing procedure devised for svn, removed
2019-03-01 17:42:56 +01:00
54531ea61c
Merge branch 'develop' of gitlab.com:QEF/q-e
2019-02-28 19:32:38 +01:00
958e1ca535
updating pdf files doc files
2019-02-28 18:46:00 +01:00
2d909a8692
A few minor fixes to documentation
2019-02-28 17:11:21 +01:00
57c0cbbfcc
pdf restored
2019-02-28 16:28:58 +01:00
2ec84f6edf
some very small corrections
2019-02-28 15:54:53 +01:00
52a67b19a5
1) Implementation of the PHonon+U code (A. Floris, S. de Gironcoli, E.K.U. Gross,
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I. Timrov, B. Himmetoglu, N. Marzari, M. Cococcioni). The code was ported
from QE 5.0.2 to the latest version of QE, by I. Timrov with the help of
A. Floris and M. Cococcioni. Many thanks for the discussions with P. Giannozzi,
P. Delugas, A. Dal Corso, M. Calandra, L. Paulatto about various issues
during the porting. Sorry if I forgot to mention someone.
2) Some small modifications in the HP code in order to be consistent
with the porting of PHonon+U and changes in LR_Modules.
2018-10-30 16:20:32 +01:00
0898e563d4
updated dates on user_guides
2018-06-29 17:49:14 +02:00
ae635622db
Added compiled documentation files in *.pdf. *txt, *html format.
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Since github and gitlab just distribute a snapshot of the git repository,
these files must be in the repository as well. NOTA BENE:
All changes MUST GO TO *.tex or *.def FILES, NOT to these files!
Also note that the "make doc" machinery produces also *.xml files and
latex2html converted html versions of latex files. I don't think they belong
to the repository (latex files should maybe be replaced by md files)
2018-06-22 17:41:44 +02:00
fda42b8045
Added new version of pw2gw with documentation (Olivia Pulci, Davide Grassano,
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Adriano Mosca Conte); version number in documentation updated. Maybe ready?
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@14038 c92efa57-630b-4861-b058-cf58834340f0
2017-12-11 10:41:41 +00:00
d93cbbb7fc
Electron-phonon case was not reading its own files for ibrav=0
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Minor documentation and make.depend updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13999 c92efa57-630b-4861-b058-cf58834340f0
2017-11-18 08:21:50 +00:00
3bc6b908ae
Missing documentation added, minor updates to phonon documentation
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13987 c92efa57-630b-4861-b058-cf58834340f0
2017-11-10 15:10:54 +00:00
4747ccf1ee
Yet Another Misspelled Name
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13968 c92efa57-630b-4861-b058-cf58834340f0
2017-10-28 13:28:01 +00:00
478ef50535
More documentation updates: misspells, acknowledgents, new reference added
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13967 c92efa57-630b-4861-b058-cf58834340f0
2017-10-28 13:26:03 +00:00
ecf9879a1e
Dopcumentation update: acknowledgments for DFT-D3, new developments
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13966 c92efa57-630b-4861-b058-cf58834340f0
2017-10-28 13:05:59 +00:00
9e337f3ba9
New code to compute total energy and phonons in 2D materials by enforcing 2D periodic boundary conditions. Inter-layer Coulomb interaction is truncated. Vacuum space need to be larger than the layer size. Also check phonon example17 and input documentation.
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Developed by Thibault Sohier, Matteo Calandra, Francesco Mauri
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13952 c92efa57-630b-4861-b058-cf58834340f0
2017-10-25 10:40:59 +00:00
eb25b063cb
Reference to QE paper moved to a single file
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13884 c92efa57-630b-4861-b058-cf58834340f0
2017-09-28 12:14:17 +00:00
a756f96b8e
Machinery for updated version.f90 simplified; references to obsolete D3 code
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removed; packaging script simplified and updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13866 c92efa57-630b-4861-b058-cf58834340f0
2017-09-26 11:24:45 +00:00
00970447e8
Version number moved to 6.2, with caveat that documentation is only
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partially up to date
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13852 c92efa57-630b-4861-b058-cf58834340f0
2017-09-24 20:17:34 +00:00
8807b359ae
Documentation missing input variable - may or may not be correct
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13557 c92efa57-630b-4861-b058-cf58834340f0
2017-06-09 07:39:02 +00:00
8283cfe94f
Documentation about fildrho, fildvscf updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13440 c92efa57-630b-4861-b058-cf58834340f0
2017-03-28 06:34:31 +00:00
19e042b175
More utilities using the optimized tetrahedron method of Mitsuaki Kawamura
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13432 c92efa57-630b-4861-b058-cf58834340f0
2017-03-22 21:47:02 +00:00
c6b017fad2
Getting ready for v6.1
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13319 c92efa57-630b-4861-b058-cf58834340f0
2017-02-18 18:37:10 +00:00
435e3fae31
Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13210 c92efa57-630b-4861-b058-cf58834340f0
2016-12-23 12:49:16 +00:00
7967f0ce7a
Documentation updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13159 c92efa57-630b-4861-b058-cf58834340f0
2016-11-17 07:00:30 +00:00
Paolo Giannozzi