Paolo Giannozzi
121edf52c8
[Skip-CI] ATOMIC_POSITIONS and CELL_PARAMETERS cards without units are
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officially deprecated but there were several tests and examples using them
2019-02-23 22:45:29 +01:00
Paolo Giannozzi
e7917e48a2
More cleanup of obsolete variables in examples
2019-02-22 22:20:39 +01:00
Paolo Giannozzi
c31cfd57a8
Updated gnuplot script (aligned to the one contained in run_example)
2018-08-31 14:03:12 +02:00
nvarini
1c722061d3
Update examples with smearing=mv
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13323 c92efa57-630b-4861-b058-cf58834340f0
2017-02-18 20:01:41 +00:00
nvarini
85fdf20b3e
Update examples with smearing=mv
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13322 c92efa57-630b-4861-b058-cf58834340f0
2017-02-18 19:40:52 +00:00
nvarini
3fa8513bb8
Updated examples with mv smearing
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13321 c92efa57-630b-4861-b058-cf58834340f0
2017-02-18 19:35:59 +00:00
sclauzer
a531252e7a
Example for PWcond within LDA+U(pseudo) fixed and updated (GS)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10878 c92efa57-630b-4861-b058-cf58834340f0
2014-04-14 08:41:05 +00:00
giannozz
db78b5799b
More careful removal of scratch files in examples: only files starting with
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"pwscf" or "cp" are removed when the scratch directory is cleaned. May still
need some tweaking in some cases, though, because not all files start with
the value of "prefix" variable
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10437 c92efa57-630b-4861-b058-cf58834340f0
2013-08-16 14:39:10 +00:00
sclauzer
76c65671c9
Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond.
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Example of usage included (needs PP with AE wfcs, added in pseudo/).
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9572 c92efa57-630b-4861-b058-cf58834340f0
2012-10-24 09:41:28 +00:00
dalcorso
0a64c6da77
Added a script to run all PWCOND examples and a script to clean all the
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examples.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9376 c92efa57-630b-4861-b058-cf58834340f0
2012-08-25 13:44:48 +00:00
giannozz
ff6d238f00
Address for network download of pseudopotentials updated and moved to
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environment_variables
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8999 c92efa57-630b-4861-b058-cf58834340f0
2012-05-14 13:10:13 +00:00
marsamos
891d1c420b
examples deleted, environment_variables moved to main dir, all run_examples changed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8593 c92efa57-630b-4861-b058-cf58834340f0
2012-02-08 19:11:33 +00:00
marsamos
1cabaf5a83
updated README for examples in PW PP PHonon PWCOND and CPV
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8569 c92efa57-630b-4861-b058-cf58834340f0
2012-02-02 15:31:33 +00:00
marsamos
523ae083c0
make_clean and run_all_examples copied to PWCOND/examples dir
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8519 c92efa57-630b-4861-b058-cf58834340f0
2012-01-20 16:57:46 +00:00
marsamos
beb3244f38
example02 of PWCOND now only contains pwcond related things
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8095 c92efa57-630b-4861-b058-cf58834340f0
2011-08-16 11:25:43 +00:00
marsamos
ecca04136b
PWCOND new dir structure
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8093 c92efa57-630b-4861-b058-cf58834340f0
2011-08-16 11:08:13 +00:00