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by aba
05 Nov 2020, 10:56
Forum: Running Dalton
Topic: Manual says .DFTTHR takes 2 values, but needs 3
Replies: 1
Views: 56

Manual says .DFTTHR takes 2 values, but needs 3

Hi, The Dalton 2020.0 Manual states that the keyword .DFTTHRin the *DFT INPUT section takes two numbers: The first number determines the density threshold (contributions to a property from places where the density is below the threshold will be skipped) and the second one – orbital threshold (orbita...