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For very simple test systems fleur can now use the inp.xml file
as an input. Note, however, that the functionality is still
very incomplete. Therefore, preliminary fleur has to be invoked
with -xmlInput to make use of inp.xml.

Besides the feature incompleteness it is expected that there are
still some bugs in loading inp.xml. So far it is
only tested for Si and Fe. For Fe a small deviation from the
reference total energy is observed (0.03 mHtr), the magnetic
moments are off by 0.003. The cause is yet unknown.

for centered lattices in atom_sym.f. If generators were given, atomid()
was wrong - corrected also in atom_sym.f. Some formatting of output
improved in atom_input.f, inpgen.f90, symproperties.f, and set_inp.f90.
Calculation of bbmat fixed in setab.f.

If the internal default enpara file was used it could happen that
index 3 of the qal array in eparas, line 125 was wrong. This can be
tracked back to a missing initialization of enpara%skiplo. I now
initialize this array in inpeig.f90 before default_enpara is called.
The bug fix is in analogy to the initialization of skiplo in
atom_input where an enpara file is generated by inpgen.

the coordinate system) and noangles=f (scale the lattice vectors). The
variable is passed from lattice2.f, where also settings for latsys='rho'
have been updated.

are now properly initialized.

The bug was introduced by the earlier fixing of the spn index
in the tuulo array: ae673d10

In broyden.F90 sometimes the error floating invalid occured when extensive
runtime checks were enabled. The error occurs in the line were the arrays
sm and sm1 are subtracted from each other.

The conjectured cause for this is that only a part of the arrays is really
used. Their size is larger. The part that is not used is never initialized.
So it may occur that subtracting the arrays from each other results in
an invalid operation in the part of the array that is not used.

We could not directly verify this conjecture. But reducing the subtraction
to the used part seems to cure the problem. We did that and additionally
initialized the local arrays to 0.0.

starting density generation optional.

Iff no enpara file was present this automatic enpara generation was
triggered. It now only is triggered iff the command line switch
"-genEnpara" is set. Otherwise there is a fallback to an internal main
quantum numbers enpara file.

The enpara file with integer energy parameters is now generated
iff inpgen is invoked with the command line flag "-genEnpara"

With this commit the file FleurInputSchema.xsd is created whenever
a new inp.xml file is generated. Note that the recipe for changing
the Schema file is found as a comment in io/xml/dropInputSchema.c.

Besides the conventional input, the new inpgen now also generates an
inp.xml file containing all required data to start a calculation. The
commit also includes additional command line parameters for inpgen:

   "-explicit": This writes k-points, symmetry operations, and the Bravais
                matrix explicitly into the inp.xml file.
   "-noXML":    This switches of the generation of the inp.xml file.