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4 Commits

Author SHA1 Message Date
giannozz 435e3fae31 Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13210 c92efa57-630b-4861-b058-cf58834340f0
 2016-12-23 12:49:16 +00:00
spigafi 46bfd84dc4 fdef preprocessor macro refactoring (LR_Modules) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12971 c92efa57-630b-4861-b058-cf58834340f0
 2016-09-17 14:36:58 +00:00
timrov 63376b343b Added a missing part in the routine setup_alpha_pv.f90, which was taken from PH. This was a bug for metals (because one variable was not set up, i.e. emax), which I introduced by mistake a few weeks ago while moving some parts of the PH code to LR_Modules. Sorry about this! 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12293 c92efa57-630b-4861-b058-cf58834340f0
 2016-04-11 09:12:52 +00:00
timrov 1b8c581d5f Moved parts of the PHonon code, which compute nbnd_occ and alpha_pv, 
from phq_setup.f90 to separate subroutines setup_nbnd_occ.f90 
and setup_alpha_pv.f90 in LR_Modules. The reason for this is always the same:
these parts of PH were duplicated eslewhere (in TDDFPT) and now it is
time to merge them and move to LR_Modules.
Also some small changes in TDDFPT: removing the dependencies on PH variables.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12172 c92efa57-630b-4861-b058-cf58834340f0
 2016-02-28 10:58:15 +00:00