db729d60c5
Forgotten in previous commit
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7168 c92efa57-630b-4861-b058-cf58834340f0
2010-10-26 08:29:11 +00:00
77648909ed
Variable nrxxs removed from module gvect. Either the value in module
...
smooth_grid_dimensions or in dffts%nnr is used instead. Lots of changes
but nothing substantial. Beware unintended side effects
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7164 c92efa57-630b-4861-b058-cf58834340f0
2010-10-24 08:05:12 +00:00
b41ba40564
Harmonization of FFT grid variables with CP:
...
nrx1, nrx2, nrx3 => nr1x, nr2x, nr3x
nrx1s,nrx2s,nrx3s=> nr1sx,nr2sx nr3sx
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7091 c92efa57-630b-4861-b058-cf58834340f0
2010-09-18 16:48:39 +00:00
c60df7459d
Added k-resolved dos (GuidoF) + source "normalization"
...
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6840 c92efa57-630b-4861-b058-cf58834340f0
2010-06-14 13:45:31 +00:00
91f802891f
PAW charge density plot: a bug (i%l*2 instead of i%l**2) was causing
...
unitialized stuff to be used in plots, with consequences ranging from
nonexistent to entertaining. Cleanup, removal of unused stuff.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6308 c92efa57-630b-4861-b058-cf58834340f0
2010-01-21 13:07:03 +00:00
d5ed30f77a
Unit of measure mismatch fixed, now it works, but requires ridiculous cutoff
...
to provide a meaningful plot.
LP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5610 c92efa57-630b-4861-b058-cf58834340f0
2009-06-15 12:28:08 +00:00
90dc290305
Circular dependency removed (offending subroutine moved to PP/paw_postproc.f90)
...
LP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5604 c92efa57-630b-4861-b058-cf58834340f0
2009-06-15 07:54:05 +00:00
giannozz