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dft_inputs [2016/12/08 09:03] krejcio |
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[[http://www.vasp.at/]] | [[http://www.vasp.at/]] | ||
- | A LOCPOT file containing the Hartree potential is produced during standart VASP run. One just have to care about a dipole correction (if necessary). The LOCPOT file has to be convert into an *.xsf file. | + | A LOCPOT file containing the Hartree potential is produced during standart VASP run. One just have to care about a dipole correction (if necessary). The LOCPOT file has to be convert into an *.xsf file, eg. via [[http://theory.chm.tu-dresden.de/~jk/software.html]] |
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+ | == FHI-AIMS == |