dft_inputs
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dft_inputs [2016/12/08 08:47] krejcio |
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| - | Hartree potential that may serve as an input for the PPM can be produced by various DFT codes. Here we show examples, for couple of them: | + | Hartree potential that may serve as an input for the PPM can be produced by various DFT codes. The calculated system should be in the lower part of the unit cell, but z coordinates of the top-most layer has to be above zero! Here we show examples how to produce a hartree, for couple of DFT codes: |
| == Fireball == | == Fireball == | ||
dft_inputs.txt ยท Last modified: 2017/01/26 14:58 (external edit)
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