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&LINRES $ \ldots$ &END


CONVERGENCE

DIFF FORMULA

HTHRS

MAXSTEP

OPTIMIZER [SD,DIIS,PCG,AUTO]

QS_LIMIT

STEPLENGTH

THAUTO

XC_ANALYTIC

XC_DD_ANALYTIC

XC_EPS

ZDIIS

GAUGE {PARA,GEN,ALL}



Costas Bekas 2008-09-04