[Pw_forum] Runtime error in vc-relax

[Paolo Giannozzi]

...and by the way:
- postprocessing with the "tqr" option currently doesn't work
(can be easily fixed, though)
- davidson is much faster than conjugate-gradient: don't use the
latter unless you have a good reason
- starting_magnetization doesn't work the way you are using it:
its index refers to the species, not to the atoms (I think it
is ignored anyway with tot_magnetization)
- self-consistency should be faster with a small broadening

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy