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I am trying to optimize the crystal structure based on Delta SCF. But I am not so familiar with ABINIT at all. As the ABINIT website do not provide further information. It would be super nice if someone could share the input files of ABINIT for Delta SCF. Thanks in advance!

Best regards, Bo

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  • $\begingroup$ +1. Just have a look at the tags I added, as it is always good to make the tags as accurate as possible. $\endgroup$ Oct 3 '20 at 17:40
  • $\begingroup$ Related (but not terribly descriptive) documentation: docs.abinit.org/topics/DeltaSCF $\endgroup$
    – Tyberius
    Oct 4 '20 at 16:48
  • $\begingroup$ @Tyberius is anything in that link enough to produce an answer to the question? $\endgroup$ Oct 18 '20 at 19:26
  • $\begingroup$ It looks like you also asked this question on the ABINIT forum. Did the advice there resolve the issue? If not, please include the input files you have been trying to use, along with any error messages they give, so that we have a better understanding of the problem. $\endgroup$
    – Tyberius
    Jun 24 at 13:54