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35 Commits

Author SHA1 Message Date
marsamos 6955f73b21 added xml examples for cp plus small modif to other xml examples. Simone Ziraldo. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7173 c92efa57-630b-4861-b058-cf58834340f0
 2010-10-26 13:43:16 +00:00
marsamos 900a7549e0 added run_xml_example for QE examples 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7110 c92efa57-630b-4861-b058-cf58834340f0
 2010-09-29 14:23:26 +00:00
dalcorso 2abda8a61c Added an example of the use of the dynamical matrix in xml format. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7028 c92efa57-630b-4861-b058-cf58834340f0
 2010-08-29 17:11:56 +00:00
dalcorso 77a7d3f2db Example 9 updated. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5663 c92efa57-630b-4861-b058-cf58834340f0
 2009-07-10 16:42:18 +00:00
dalcorso 33c05541cd Problem fix: zue + gamma_gamma tricks was not implemented. Example09 
updated to calculate also the response to the electric field.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5202 c92efa57-630b-4861-b058-cf58834340f0
 2008-09-18 13:21:43 +00:00
giannozz 999186ecc1 More of the same 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5096 c92efa57-630b-4861-b058-cf58834340f0
 2008-07-31 17:04:47 +00:00
giannozz 07ecf4ad70 Pseudopotentials for Al and Si have the same naming convention than 
in the pseudopotential table


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5095 c92efa57-630b-4861-b058-cf58834340f0
 2008-07-31 16:51:17 +00:00
paulatto 834fa5e4f7 Trivial 
LP


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4986 c92efa57-630b-4861-b058-cf58834340f0
 2008-06-16 12:15:59 +00:00
giannozz f0a6f2301a Examples updated (but not verified) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4842 c92efa57-630b-4861-b058-cf58834340f0
 2008-04-29 10:40:04 +00:00
giannozz 6ecaec077d Most examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4550 c92efa57-630b-4861-b058-cf58834340f0
 2007-12-21 13:59:45 +00:00
giannozz e6c266221c Examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4079 c92efa57-630b-4861-b058-cf58834340f0
 2007-07-27 11:20:41 +00:00
sbraccia f1d495c5de Typo corrected. C.S. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3859 c92efa57-630b-4861-b058-cf58834340f0
 2007-03-19 13:16:49 +00:00
sbraccia f25ca0785e Added a check on the exit status of each job executed by the script using 
the function check_failure.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3854 c92efa57-630b-4861-b058-cf58834340f0
 2007-03-19 02:56:29 +00:00
giannozz b7ce3b7f77 Examples updated - please verify if everything is good 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3520 c92efa57-630b-4861-b058-cf58834340f0
 2006-11-08 09:12:57 +00:00
giannozz ee0384a92e Examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3460 c92efa57-630b-4861-b058-cf58834340f0
 2006-10-17 09:10:23 +00:00
dalcorso 49a0eb6208 Added an example of the lgamma_gamma symmetrization. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3289 c92efa57-630b-4861-b058-cf58834340f0
 2006-07-26 15:18:31 +00:00
giannozz b2366b190c All examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3218 c92efa57-630b-4861-b058-cf58834340f0
 2006-06-29 08:29:47 +00:00
giannozz 2f660c1a68 updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3094 c92efa57-630b-4861-b058-cf58834340f0
 2006-05-08 09:57:18 +00:00
giannozz 3a12d680e7 All examples, excepted examples 13 and 22 that might be affected by the 
last pacth, updated - some output names changed to more explicit ones


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2455 c92efa57-630b-4861-b058-cf58834340f0
 2005-11-10 11:35:54 +00:00
giannozz c36679611c Examples updated - PPLEASE VERIFY 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2293 c92efa57-630b-4861-b058-cf58834340f0
 2005-10-17 09:26:17 +00:00
giannozz 5eb917d71e Examples updated to reflect new output 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2169 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-13 09:06:55 +00:00
giannozz 7abc7cdebb Minor changes to scripts used to check and save examples 
All examples updated again (sorry), this time with ifort 8
Only pwcond refuses to work with this particular compiler


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2057 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-28 17:26:51 +00:00
giannozz 2176dd6a6f Examples updated - NOT ALL OF THEM HAVE BEEN VERIFIED 
Needed to try the daily test


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2046 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-26 16:58:28 +00:00
giannozz a33276828c Minor update 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2004 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-08 13:52:46 +00:00
giannozz c6c3dd5818 Example 09 updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1955 c92efa57-630b-4861-b058-cf58834340f0
 2005-06-10 07:56:22 +00:00
giannozz d98cab03b1 Update to new input format for dynmat 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1951 c92efa57-630b-4861-b058-cf58834340f0
 2005-06-09 09:28:21 +00:00
ballabio e22dfb07e0 minor format changes [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1388 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-19 13:05:14 +00:00
giannozz 1f51d2f1c1 Minor output format change (examples updated) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1265 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-13 12:51:01 +00:00
giannozz 79da8eb1de oops.. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1242 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-06 14:28:41 +00:00
giannozz b56ca450c4 Added test on dynmat,x 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1240 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-06 09:42:17 +00:00
giannozz a55d7447f7 *** empty log message *** 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1166 c92efa57-630b-4861-b058-cf58834340f0
 2004-08-24 15:27:41 +00:00
ballabio d64eb1a84e more fixes for /bin/sh [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1037 c92efa57-630b-4861-b058-cf58834340f0
 2004-07-02 13:44:12 +00:00
ballabio 90cff79e67 more cleanup of reference directories [Gerardo] 
please check if I've removed any files that I shouldn't have
(and if I've left any files that could be removed)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@973 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-15 09:56:59 +00:00
ballabio 0c1a159923 cleanup: removed input files from reference directories [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@972 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-15 09:39:40 +00:00
ballabio cb1c811720 Created unified "examples" directory replacing old "cp_examples", 
"pw_examples" [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@946 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-10 09:37:46 +00:00