scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
5,653 Commits 5 Branches 40 Tags 1.8 GiB
Commit Graph

5 Commits

Author SHA1 Message Date
dalcorso be2416f7f5 Bug fix (only in cvs version): the phonon recover was not working in the 
noncollinear/spin-orbit case when the number of representations was
larger than 3.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5551 c92efa57-630b-4861-b058-cf58834340f0
 2009-05-05 08:14:00 +00:00
dalcorso 663a566f02 Added phonon recover in the PAW case. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5416 c92efa57-630b-4861-b058-cf58834340f0
 2009-02-14 11:20:00 +00:00
dalcorso 07d2f0d835 Phonon cleanup. The reading of the recover file is done by a single routine. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5389 c92efa57-630b-4861-b058-cf58834340f0
 2009-02-08 17:27:46 +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
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