Paolo Giannozzi
6148f5e5c5
Obscure line present in all examples replaced with a much simpler one.
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See https://stackoverflow.com/questions/50148175/what-does-cd-echo-0-sed-s-1-do-in-bash-script
Note: some trailing blanks have been removed as well by the script I used.
Use "git diff -b" to see only the true changes.
2022-09-03 11:53:33 +02:00
Iurii Timrov
39a77cecc0
New input hubbard
2022-02-17 21:28:26 +00:00
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
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
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