[CP2K-user] [CP2K:20317] CP2K xTB module bug report

[王子懿]

Dear Developers,
     CP2K cannot output bqb files (&DFT/&PRINT/&E_DENSITY_BQB 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/E_DENSITY_BQB.html>) 
properly when using xtb for calculations. But it works when standard GPW 
DFT is conducted.
In addition, the cube file can be output normally when using xtb, so I 
assume this may be a bug in the xtb module.

Best regards
Ziyi Wang

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