dft_inputs
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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:
Fireball
A fireball.in for creation of an fftpot.xsf file with Hartree potential with using a McWEDA functional should look like:
dft_inputs.1481182809.txt.gz · Last modified: 2016/12/08 08:40 (external edit)
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