GitLab

The convolution with the step function has been removed from vmatgen as this
is done in vgen already.

I had to compensate the newly present diagonal term in the td%tuu,... arrays in force/force_a21.F90.

...to fill aveccof and bveccof arrays.

The tolerance was increased from 10^-7 Htr to 10^-6 Htr.

For this cdn_mt/abcof.F90 and cdn_mt/abclocdn.F90 had to be adapted
to feature the needed functionality. toPulay is still available in
the code but never called.

...to allow compilation on older Intel compilers.

Cleanup and bugfixes are required.

a) Second spin for force a8 was wrong
b) LO contribution to force_a21 was wrong

The OMP parallelization yielded wrong results for the vtl array with the ifort 18 compiler.

...it was an error before.

This is done by replacing the parallelizationParameters XML element by a more
sophisticated parallelSetup section in out.xml

Replace broyden2 by broyden agein until the problem with continuous restart are understood and solved

Added diagonalization switch that does not do any diagonalization but simple outputs the matrix for debugging...

The continuous restartability still does not seem to work correctly.