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Author Topic: ionic pseudopotential  (Read 3488 times)

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Offline ams_nanolab

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ionic pseudopotential
« on: May 31, 2018, 09:58 »
Is it possible to define ions in ATK? And how we can find/build the pseudopotentials required for calculation of ions (e.g. Li+, Na+)?
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Offline Petr Khomyakov

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Re: ionic pseudopotential
« Reply #1 on: May 31, 2018, 12:14 »
Take a look at this Forum topic and links therein, https://quantumwise.com/forum/index.php?topic=5707.msg24458#msg24458 .
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