QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: GJK on November 10, 2014, 06:01
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Hi,
Question 1:
What is the difference between Molecular energy spectrum calculated for device,bulk and molecule configuration.
Question 2:
What is the difference between molecular energy spectrum and band structure for a bulk configuration
Question 3:
Is it reliable to calculate the molecular energy spectrum of bulk configuration (or) should we change the bulk mode to molecule mode for estimating the MPSH