Ali Emre Genç

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Questions related from Ali Emre Genç

Is there any possibility of drawing electron density differences through dmol3 *.tpdensk formatted file?

Hi all, As you know, we can not visualize electron density differences by CASTEP. However, we can not do that in Dmol3. In the manual, it is written that electron density data is stored in the...

09 September 2018 947 0 View

Choosing spin restricted and unrestricted calculations?

Hi everyone, I strongly curious about the output of the spin restricted and unrestricted calculations. During simulations, CASTEP program offers spin unrestricted calculations in some...

10 October 2017 839 0 View