Inpot file for NH3 molecular crystal in exciting

exciting
1

Hi,
I am getting an error (rmt error) with the following input file. Could you provide me with the correct one?

NH3-mol-crystal



4.962164 0.000000 0.000000
0.000000 4.962164 0.000000
0.000000 0.000000 4.962164






















2

Could you please detail your message:

  • include the full input.xml file
  • include the used species files
  • which exciting version was used?
  • how did you compile/execute it?
  • what was the exact error message?

Try to provide as much details as possible as this will make it easier for us to understand the error and provid valid fixes.

Best,
Fabian