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Thu Aug 15 13:35:08 CEST 2013


to change at a certain point from a mixing factor 0.2 (the one I am
using now) to 0.5 (which should increase the speed).

Could you please tell me the DETAILED instructions to abort the
calculation and restart it without breaking ANYTHING (i.e. restarting
safely the calculations with mixing 0.5, from the very last scf step
with mixing 0.2 completed before I kill my calculation) ??

Thank you very much in advance

Fabiana
VUB, Free University of Brussels


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