Answer by Andrew Rosen for Dispersion correction and band structure
@Xivi76 is correct. Dispersion corrections have no direct influence on the band structure. As such, there is no need to add the D3 correction on your HSE06 static calculation if you're only interested...
View ArticleDispersion correction and band structure
Let's say I optimized geometry with PBE+D3. I want to carry out band structure calculation with HSE06, should I add the dispersion correction to the band structure calculation or not?I tried both and...
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