with the separate files describing the leads and the scattering region (more accurate
description of the complex bands of the leads) as well as with the unique file
containing the scattering region + the leads. Added an option allowing to save on
a text file (machine independent) the data needed for PWCOND run.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1590 c92efa57-630b-4861-b058-cf58834340f0
fully relativistic PPs with spin-orbit. Initial
implementation (still quite experimental).
Several improvements to the pwcond code. Now much faster.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1407 c92efa57-630b-4861-b058-cf58834340f0
1) f_defs.h for definitions to be included in FORTRAN files ONLY
2) c_defs.h for definitions to be included in C files ONLY
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1012 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
dalcorso