{"action":"created","issue":{"url":"https://api.github.com/repos/Z2PackDev/Z2Pack/issues/48","repository_url":"https://api.github.com/repos/Z2PackDev/Z2Pack","labels_url":"https://api.github.com/repos/Z2PackDev/Z2Pack/issues/48/labels{/name}","comments_url":"https://api.github.com/repos/Z2PackDev/Z2Pack/issues/48/comments","events_url":"https://api.github.com/repos/Z2PackDev/Z2Pack/issues/48/events","html_url":"https://github.com/Z2PackDev/Z2Pack/issues/48","id":177641584,"number":48,"title":"questions about the surface definition","user":{"login":"tron1989","id":17951365,"avatar_url":"https://avatars.githubusercontent.com/u/17951365?v=3","gravatar_id":"","url":"https://api.github.com/users/tron1989","html_url":"https://github.com/tron1989","followers_url":"https://api.github.com/users/tron1989/followers","following_url":"https://api.github.com/users/tron1989/following{/other_user}","gists_url":"https://api.github.com/users/tron1989/gists{/gist_id}","starred_url":"https://api.github.com/users/tron1989/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/tron1989/subscriptions","organizations_url":"https://api.github.com/users/tron1989/orgs","repos_url":"https://api.github.com/users/tron1989/repos","events_url":"https://api.github.com/users/tron1989/events{/privacy}","received_events_url":"https://api.github.com/users/tron1989/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":4,"created_at":"2016-09-18T09:30:49Z","updated_at":"2016-09-19T05:47:19Z","closed_at":null,"body":"First, I think there is an mistake in the website (http://z2pack.ethz.ch/doc/2.0/tutorial_surface.html#basic-syntax) about the equation\r\n\r\nf(t1,0)=f(t2,1) +G , here, I think t2 should be t1.\r\n\r\nSecond,  when I want to calculate Z2 with vasp, I define the surface with\r\n surface=lambda s, t: [s, t/2, 0]\r\nThere is an error\r\n\r\n>  ValueError: The k-points must be aligned in (positive) kx-, ky- or kz-direction for VASP runs.\r\n\r\nOtherwise, when I try **surface=lambda s, t: [t, s/2, 0]** there is no error\r\n\r\nI was quite confusing about the surface definition, which is written\r\nsurface=lambda t1, t2: [t1, t2, 0]\r\n\r\nAs the tutorials says, t2 is the direction Wannier charge centers are calculated. So the order of t1, t2 is quite important . So how can I USE the surface definition properly? "},"comment":{"url":"https://api.github.com/repos/Z2PackDev/Z2Pack/issues/comments/247914880","html_url":"https://github.com/Z2PackDev/Z2Pack/issues/48#issuecomment-247914880","issue_url":"https://api.github.com/repos/Z2PackDev/Z2Pack/issues/48","id":247914880,"user":{"login":"greschd","id":5692808,"avatar_url":"https://avatars.githubusercontent.com/u/5692808?v=3","gravatar_id":"","url":"https://api.github.com/users/greschd","html_url":"https://github.com/greschd","followers_url":"https://api.github.com/users/greschd/followers","following_url":"https://api.github.com/users/greschd/following{/other_user}","gists_url":"https://api.github.com/users/greschd/gists{/gist_id}","starred_url":"https://api.github.com/users/greschd/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/greschd/subscriptions","organizations_url":"https://api.github.com/users/greschd/orgs","repos_url":"https://api.github.com/users/greschd/repos","events_url":"https://api.github.com/users/greschd/events{/privacy}","received_events_url":"https://api.github.com/users/greschd/received_events","type":"User","site_admin":false},"created_at":"2016-09-19T05:47:19Z","updated_at":"2016-09-19T05:47:19Z","body":"The Z2 invariant should be the same, yes. The Wannier charge centers themselves and the plots could be different."}}
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