EDWAV: internal error, the gradient is not orthogonal

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Revision as of 14:25, 25 September 2015 by Michael Sluydts (talk | contribs)
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Seen in hybrid calculations (which hang). Start from a properly preconverged WAVECAR not CHGCAR. It is also POTCAR-dependent. The internet suggests wrong intel libraries or overzealous optimization by the compiler may be involved as well.