QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Jyotirmoy Deb on January 21, 2020, 17:24
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In the semiemperical calculator I have found the option of k-point sampling. But whether in semiemperical calculation k-point sampling and mesh cutoff of convergence is necessary. Kindly suggest in this regard.
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What makes you believe that it is not necessary to converge with respect to k-point sampling and mesh density? To me, there is no particular difference between SE and DFT in that regard, except that mesh density can be set lower for SE SCF calculations than for DFT SCF calculations.