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Re: What is NSERCH?

Gena
alchemicylide@gmail.com


This indicates the number of geometry search step.


On Mon Jul 18 '11 6:15pm, Alain Igban wrote
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>NSERCH QUESTION:

>I see this in my output file:

>...... END OF 2-ELECTRON GRADIENT ......

> CPU        TIME:   STEP =   2381.95 ,  TOTAL =    71999.6 SECONDS ( 1200.0 MIN)
> WALL CLOCK TIME:   STEP =   2383.64 ,  TOTAL =    71436.7 SECONDS ( 1190.6 MIN)
> CPU UTILIZATION:   STEP =     99.93%,  TOTAL =     100.79%

>          NSERCH=  5     ENERGY=   -5729.4797738

>What is NSERCH?
>
>
>


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