The "box" has 'a' axis along x ; 'b' axis on the xy plane at angle gamma
with 'a' axis ( cos(gamma)=celldm(4) ) ; 'c' axis along z .
Primitive vectors a1 and a3 point to the centers of the c-a faces
(z<0 and z>0 respectively); vector a2 is along 'b'
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3464 c92efa57-630b-4861-b058-cf58834340f0
The rectangular base (a,b) is centered while the monoclinic angle<>90 is
between b and c. Problem pointed out by Young-Su Lee @ mit .
SdG
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3430 c92efa57-630b-4861-b058-cf58834340f0
If ibrav=0 ph.x write also at(3,3) and symm_type and so do q2.x and matdyn.x
It could actually be simpler to always write/read at(3,3) and symm_type and
forget about ibrav and celldm ...
latgen modified so that it deals properly with ibrav=0 case.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2543 c92efa57-630b-4861-b058-cf58834340f0
correct place (kinds); module "varie" replaced by "control_flags" (not
yet in pwcom, though) - many many files changed.
64-bit cpus (Opteron, maybe Itanium) should now work if __LINUX64 is defined
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@513 c92efa57-630b-4861-b058-cf58834340f0
and used by all codes,
as common latgen it has been used the one contained in CPV,
sice this version solve some problems related to left-handed cell
new common module ions_base with ionic basic variables
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@247 c92efa57-630b-4861-b058-cf58834340f0
giannozz