ev.x writes the lattice constants in a.u. and in Angstrom.
read_upf_tofile.x writes on file the core charge multiplied by 4 pi r^2
as the valence charge.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4209 c92efa57-630b-4861-b058-cf58834340f0
GIPAW/make.depend added to CVS, like all others - should be updated
when dependencies change using "./makedeps.sh GIPAW" from the root
directory of QE
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3724 c92efa57-630b-4861-b058-cf58834340f0
- correct an unquoted string (iosys) in PW/input.f90:483
(this was the cause of tonight compilation failere)
- correct a few incorrect format strings
- make more use of the constants module and thus
provide more consistent units. NOTE, this has some
numerical changes in the outputs, as in some places
rather low precision and inconsistent numbers were
used for unit conversion.
- convert all(?) single precision constants to double
using the attached little perl program.
exceptions: efermi.f90 (as it is supposed to be rewritten
anyways), plotbands.f90 (it uses single precision everywhere,
which may result in saving a significant amount of memory,
so i converted the two double precision constants to single).
Unused routine 'set_fft_grid' removed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3602 c92efa57-630b-4861-b058-cf58834340f0
- workaround for gfortran (it is sort of working)
- single precision constants promoted to double precision
- dfloat-> DBLE
- DIMAG ->AIMAG
- DCMPLX->CMPLX
Note that ALL calls to dfloat, dimag, dcmplx have been added recently,
since I removed all of them no more than a few months ago
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3586 c92efa57-630b-4861-b058-cf58834340f0
dalcorso