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ionic pseudopotential
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Topic: ionic pseudopotential (Read 3270 times)
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ams_nanolab
Supreme QuantumATK Wizard
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ionic pseudopotential
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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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Petr Khomyakov
QuantumATK Staff
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Re: ionic pseudopotential
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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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