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how to write a cif file readable by RASPA #56

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assoua opened this issue Dec 14, 2019 · 0 comments
Open

how to write a cif file readable by RASPA #56

assoua opened this issue Dec 14, 2019 · 0 comments

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@assoua
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assoua commented Dec 14, 2019

Hello,
I took the cif file of MOF-200 and MOF-177 from RASPA which I then doped with transition metals using Gausvew and Avogadro to increase the interactions during adsorption of the hydrogen. But I can't simulate the adsorption of hydrogen by the cif file of doped MOF / how to do it please.
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