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Main Program Usage / RungeKutta Error

« on: December 05, 2014, 09:56:34 AM »

Hello

I made a mistake (I don't know where) and all executions are returning this message:

RUNGEKUTTA order 8 Problem: Errorflag:         -51
 Time   1.5000000000000000E-003 Step   1.0000000000000000E-003 Energy                       NaN
 Difficulties in the inversion of the rhos.    Using simplified inversion for the rhos.
 Nocc(           1 )=0d0                       NaN
 Nocc(           2 )=0d0                       NaN
 Product of Rho*(Rho^(-1))                       NaN

Can someone help me?

Thank you
Andre