A common situation is that researches move slightly from their expertise area. In those cases, the tutorials for beginners are not suitable. A common doubt is "This is reasonable, I am sure but: will the reviewers complain?"

For example, when choosing a functional for DFT, or a basis set for an ab initio calculation, there are safe choices which are not the best ones in terms of accuracy/efficiency. Sometimes other choices require to give more detail and justification.

Taking the above in mind: what are key points to move from gas phase to surfaces? Programs, methods, number of layers below the surface, levels of accuracy, etc.

  • $\begingroup$ +1 and I think it's unfair for 5 people to vote a question closed without even leaving a single comment to let the user know what specifically the problem was, so I'm voting to re-open. This question was close-voted back in the third week of Private Beta, when essentially everyone had close-voting power and we didn't quite know what we were doing. $\endgroup$ – Nike Dattani Jan 24 at 23:26
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    $\begingroup$ I am not going to vote to reopen since this user has not logged in recently and I think the simple close message is sufficient. I am not sure what I would even attempt to answer here that would be useful. Generally speaking moving from gas phase to surface is incredibly general and not a case of an expert going slightly outside their expertise area. $\endgroup$ – Tristan Maxson Jan 25 at 8:18
  • $\begingroup$ @NikeDattani I'd be fine seeing it reopened if other users vote to do so; while I was one of the close voters, I don't want unilaterally reopen, but I would provide the last vote if it gets to there. I do think Tristan has a point that this would be be very broad, but in the case where it does get reopened, I think we could rework the question to be a one-off tutorial style post, where this isn't really one "right" answer, but a lot of tips for people starting out. This has worked well for a few other posts and would make this post a good duplicate target for basic questions. $\endgroup$ – Tyberius Jan 25 at 17:44

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