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Re^3: Frequency Calculations

Alexey A. Popov
alxy.popov@gmail.com


Dear colleague,

the problem is not in memory or cphf block, such a message appears when the value of the energy gradient is too high. How tight was the structure optimized before vibrational analysis? Most probably yo should use tighter criterion.

Best regards,
Alexey

-------------------------------------
>Dear sir,

>As suggested by you in some previous threads, I have tried both the option of increasing the memory as well as using extra command in the input file "$cphf cphf=ao $end". However, I found that I can not increase the memory beyond 200MW (Limit of my computer system, having only 4GB RAM). Also when I tried the above extra command in input line and run the programme, job was completed normally but the message is still there in the output file
> THIS IS NOT A STATIONARY POINT ON THE MOLECULAR PES *
>     *     THE VIBRATIONAL ANALYSIS IS NOT VALID !!!  

>Please suggest

>Thanks with regards
>


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