QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: noopur on January 31, 2012, 09:31

Title: re: mesh cut-off.
Post by: noopur 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?

Title: Re: re: mesh cut-off.
Post by: kstokbro 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.

Title: Re: re: mesh cut-off.
Post by: noopur on January 31, 2012, 13:17

ok thankyou. i'll be changing the calculations then.