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Author Topic: re: mesh cut-off.  (Read 3173 times)

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Offline noopur

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re: mesh cut-off.
« on: January 31, 2012, 09:31 »
sir,
I've used mesh cut-off 280 hartree, and calculated the result. is it OK or some problem is going to occur?
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Offline kstokbro

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Re: re: mesh cut-off.
« Reply #1 on: January 31, 2012, 10:57 »
This is a very high mesh cutoff. Your results should be fine, for most systems you can use a much smaller value.
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Offline noopur

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Re: re: mesh cut-off.
« Reply #2 on: January 31, 2012, 13:17 »
ok thankyou. i'll be changing the calculations then.
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