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21 Commits

Author SHA1 Message Date
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
degironc a6b0fea63d more changes in scf_mod. mix_rho is getting simpler and more transparent, 
scf_mod contains more stuff, but it should be rather simple.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4419 c92efa57-630b-4861-b058-cf58834340f0
 2007-11-10 15:07:51 +00:00
giannozz b25ca3afe3 O.LDA.US.RRKJ3.UPF was the same as O.pz-rrkjus.UPF 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3961 c92efa57-630b-4861-b058-cf58834340f0
 2007-06-11 10:27:07 +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
giannozz 0fcf853783 Last updates to the examples 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3245 c92efa57-630b-4861-b058-cf58834340f0
 2006-07-06 12:50:52 +00:00
degironc f7570e274c example25 (LDA+U) slightly modified, reference output updated. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3239 c92efa57-630b-4861-b058-cf58834340f0
 2006-07-04 13:50:03 +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 d244a22d29 Example 25 updated - PLEASE VERIFY IF RESULTS ARE CORRECT 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3105 c92efa57-630b-4861-b058-cf58834340f0
 2006-05-09 07:25:50 +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 1729b49682 Example 25 updated. Note that "pmw.out" produces a large amount of output data 
that seems to be quite difficult to compare with reference data. Maybe it should
be renamed so that 'check_example' doesn't make the comparison, but then the
correctness of results should be checked in some other way


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2407 c92efa57-630b-4861-b058-cf58834340f0
 2005-11-02 11:52:57 +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 e7b256c74d Examples updated in oprder to reflect new output 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2171 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-13 09:33:14 +00:00
giannozz 042721bc9a Examples uodated to reflect new output 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2168 c92efa57-630b-4861-b058-cf58834340f0
 2005-09-13 08:51:59 +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 1377d9a238 Examples updated 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1964 c92efa57-630b-4861-b058-cf58834340f0
 2005-06-20 12:13:07 +00:00
degironc 425894c08e An example for LDA+U is added (SdG) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1405 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-31 17:20:41 +00:00