I'm trying to do spin-orbit coupling calculations with VASP but when I started to run them, I got this error:

ERROR: non collinear calculations require that VASP is compiled
  without the flag -DNGXhalf and -DNGZhalf

So how may I compile VASP without those flags?

  • 2
    $\begingroup$ Have you seen the vasp_ncl in your software directory? $\endgroup$
    – Jack
    Jul 21, 2021 at 23:29
  • 1
    $\begingroup$ Which OS and which compiler are you using to compile VASP? Or are you using a precompiled binary? If that's the case, you have to either find a version which is compiled without those flags, or compile your own. $\endgroup$
    – S R Maiti
    Jul 22, 2021 at 2:56
  • 1
    $\begingroup$ +1 But have you had a chance to consider the comments by Jack and S R Maiti? If the asker doesn't interact with the question then it can get closed for being "abandoned". If you figured out a solution to the problem, we'd really appreciate if you can write an answer here so that it can help future users! $\endgroup$ Jul 31, 2021 at 0:41
  • $\begingroup$ OS : ubuntu 18.04 , compiler :ifort 2020 $\endgroup$ Sep 1, 2021 at 5:41
  • $\begingroup$ yes there is vasp_ncl in my software directory $\endgroup$ Sep 1, 2021 at 5:43


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