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Error at termination of mrcc 2

  • kallay
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  • Mihaly Kallay
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9 years 11 months ago #90 by kallay
Replied by kallay on topic Error at termination of mrcc 2
Dear Tamás,
Thank you very much for reporting this. You are very efficient. Please edit file scf.f and change the following line in SUBROUTINE FOCK_BUILD
MAXM=IFLTLN*MIN(MAXCOR-(IMEM-IMEM1),20*INTPOS(3,NPOS))
to
MAXM=IFLTLN*MIN(MAXCOR-(IMEM-IMEM1),20*nbasis*(nbasis+1)/2)
Best regards,
Mihaly Kallay

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