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quantum-espresso
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Author SHA1 Message Date
dalcorso 39a065f51d Several improvements, problems/bug fixes needed for the grid. 
(Thanks to R. Di Meo for pointing out some of the problems).


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5236 c92efa57-630b-4861-b058-cf58834340f0
 2008-10-23 14:47:04 +00:00
dalcorso 85bfe39097 Missing broadcast in the new recover (usually harmless). 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5200 c92efa57-630b-4861-b058-cf58834340f0
 2008-09-16 14:46:59 +00:00
dalcorso 40f6583823 Bug fix: the new recover + zue was not working in the parallel case. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5199 c92efa57-630b-4861-b058-cf58834340f0
 2008-09-16 14:40:58 +00:00
cavazzon 77c292d4d6 - XLF compiler complains that: 
"Expression used in a logical IF or block IF must be of type logical"


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5068 c92efa57-630b-4861-b058-cf58834340f0
 2008-07-24 09:29:24 +00:00
dalcorso 0bf37d220c Two small bugs in the new recover. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5067 c92efa57-630b-4861-b058-cf58834340f0
 2008-07-23 14:31:36 +00:00
dalcorso d3b31c3cc3 A tentative to improve the phonon recover. 
Introduced four new input variables:

start_q, last_q  Makes the phonon calculation for a subset of the q points.
                 From start_q to last_q.

start_irr, last_irr Makes the phonon calculation for a subset of the
                 irreducible representations.

Removed the input variable maxirr.

Starting k points now written in the punch file.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5066 c92efa57-630b-4861-b058-cf58834340f0
 2008-07-23 08:46:48 +00:00