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Author SHA1 Message Date
kkudin 1479303555 Added new input variables (iq1, iq2, iq3) to the PH code such that it 
is now possible to run the PH code for just one k point out of the
full dispersion grid (specified by nq1, nq2, nq3). This way there is
no need to run PW with 'phonon' first for a non-Gamma k point, and
perhaps, there are some other positive (or negative?)  effects that I
am not aware of.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4191 c92efa57-630b-4861-b058-cf58834340f0
 2007-08-29 18:55:40 +00:00
giannozz f533b052d5 dbl => DP (defined as previously dbl was) 
syntax for declarations: real(DP), without "kind="


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2135 c92efa57-630b-4861-b058-cf58834340f0
 2005-08-28 14:09:42 +00:00
giannozz 17c3a0ae3d q_points: unit iudyn was undefined on entry 
el-ph: reduced number of (in)significant figures printed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2067 c92efa57-630b-4861-b058-cf58834340f0
 2005-08-01 09:23:50 +00:00
cavazzon 8803543c2b - variable iudyn was associated (with use) and declared in the 
same subroutine


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2041 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-25 13:08:49 +00:00
giannozz 0a6cf4552d Updated documentation for simplified interatomic force constants calculation 
A file containing information on the q-point grid is written by ph.x
and read by q2r.x, thus making the process less clumsy
The phonon code does not restart automatically any longer unless instructed
to do so by setting input variable "recover"
Misc cleanup


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2039 c92efa57-630b-4861-b058-cf58834340f0
 2005-07-20 14:57:21 +00:00
giannozz 50decb486f Added copyright notice where missing (please check) 
Modified copyright notice to make it compatible with script
"check_license"


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1730 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-21 14:01:19 +00:00
giannozz 633f59fab5 Minor things 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1035 c92efa57-630b-4861-b058-cf58834340f0
 2004-07-01 15:51:11 +00:00
deinzer b36b5527d0 Cleanup: 'dispersion' removed from PW, is now entirely in PH 
module disp moved from pwcom to phcom
         variable nqx changed to nqmax


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1032 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-30 17:56:05 +00:00