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- From: "jinhong zhang" <zhangjinhong2009@gmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] How to use GW for the full band structure calculation
- Date: Thu, 11 Sep 2008 09:56:05 +0800
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Hi
I want to use GW to calculate the full band structure. Now I meet some problems when I use it.
That is , we must convergence some parameters(such as , ecutwfn ndtset and so on)for the GW calculation. When we do that, should we choose K-point one by one or choose a particular K-point for convergence. If choose a particular K-point , how we choose it? If the parameters suitable for the particular point, do they suitable for all K-points that we use for full band struction.
I want to use GW to calculate the full band structure. Now I meet some problems when I use it.
That is , we must convergence some parameters(such as , ecutwfn ndtset and so on)for the GW calculation. When we do that, should we choose K-point one by one or choose a particular K-point for convergence. If choose a particular K-point , how we choose it? If the parameters suitable for the particular point, do they suitable for all K-points that we use for full band struction.
- [abinit-forum] How to use GW for the full band structure calculation, jinhong zhang, 09/11/2008
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