68ee7b5e87
Rename module wavefunctions_module to wavefunctions
2018-07-12 16:11:48 +02:00
e1d6b18de9
more changes at the smmothing of beta- and q-funcions
...
US variable qq renamed qq_nt and a new variable qq_na added
because in real space the integral may depend (slightly) on
the atomic position and an atomic value is needed to compute
exactly normalizable wfc.
Whenever realspace tricks are not used qq_nt is used.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13604 c92efa57-630b-4861-b058-cf58834340f0
2017-07-15 23:16:18 +00:00
2895980a8b
Further removal of I/O for indices - seems to work, please verify
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12457 c92efa57-630b-4861-b058-cf58834340f0
2016-06-01 15:32:05 +00:00
c032fa57a9
Minor cleanup: harmonization of indices
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12444 c92efa57-630b-4861-b058-cf58834340f0
2016-05-30 13:43:23 +00:00
f1be423d66
Moved the variables dpqq and dpqq_so from "phus" to "lrus".
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12175 c92efa57-630b-4861-b058-cf58834340f0
2016-02-28 13:04:42 +00:00
521686bbd6
becp1 variable moved form phus -> lrus
...
addvscf.f90 moved in LR_Modules (done in previous commit)
updated dependencies and USE statements
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12046 c92efa57-630b-4861-b058-cf58834340f0
2016-01-22 01:50:14 +00:00
78622ed13a
compilation ok with orthogonalize.f90 moved to LR_Modules
...
module control_ph split into PH/control_ph + a minimal LR_Modules/control_lr
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12015 c92efa57-630b-4861-b058-cf58834340f0
2016-01-19 22:39:03 +00:00
2496b745bd
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8158 c92efa57-630b-4861-b058-cf58834340f0
2011-09-21 13:43:24 +00:00
Miguel Carvajal