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Author Topic: MoS2 nanotube tutorial refers to dftb.org, but no MoS2 sets are available there  (Read 2854 times)

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Offline qweasel

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MoS2 nanotube tutorial refers to dftb.org, but no MoS2 sets are available there
« on: February 17, 2017, 04:21 »
The MoS2 nanotube tutorial refers to [STT+00] and to dftb.org downloads, but no MoS2 parameter sets are availble.

What do I do?
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Offline Daniele Stradi

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Re: MoS2 nanotube tutorial refers to dftb.org, but no MoS2 sets are available there
« Reply #1 on: February 17, 2017, 09:01 »
You can either request the parameters on the DFTB webiste (as mentioned in the tutorial), or use the predefined set of DFTB parameters (CP2K, non-selfconsistent) implemented in ATK.
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