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Messages - ams_nanolab2

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General Questions and Answers / Crystallographic and effective mass directions
« on: November 18, 2019, 17:26 »
Are the masses given by the effective mass analyzer aligned with the real space directions or they are with the k-space directions.

2
General Questions and Answers / k-point units in bandstructure data
« on: November 7, 2019, 13:08 »
Hi, Could you tell me what's the units of k-points in the bandstructure output data? What I see in the first column is a normalized length for the entire BZ sampling path, and in the third and subsequesnt columns the fractional k-point coordinates. What is the unit of these fractional co-ordinates (like  (2pi/Ang) or (1/Ang) , (kL/pi) or something else?)

3
General Questions and Answers / Becke Johnson
« on: September 27, 2019, 12:28 »
How to use Becke-Johnson XC potentials with ATK 2019?

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