different species for different mag. moments
added kptshift flag for non-gamma centered calc. and initialization feature without starting calculation
fix tabs
error fixed: espresso.py considered different atomic species with same magnetic moment to be the same
Fixed naming convention of elements with different magnetic moments, i.e. removed the _ in element names
numbers from pseudopotential files for magnetic species removed
Updated lots: fixed the species labeling for magnetic calculations and +U calculations so it is more general
added some extra defaults and flags for variable-cell calculations, which are currently only available in manual submission without ase. Also added hybrid functional flags, but hybrids are not currently available for US PSPs
added example script for manual quantum espresso job submission
added onlycreatepwinp option which creates only an input file for pw.x and does not create any subdirectories;  furthermore a bugfix for atoms2species; failed if no magnetic moments were set
implemented tot_magnetization
minor correction
with further corrections
uniqueness method did not work for unpolarized systems: fixed    &   fixed occupations added when sigma is put to zero
Update with hubbard U to be specified on species independently
added charge density and wave function saving option; restart option based on the two; total energy and force bug fixes for non-scf calculations; magmom bugfix in atoms2species
removed printout
fixed occupations added (triggered by sigma=0)
removed printout in uniqueness function