albert

Hello, no, the dispersionless mode is currently not implemented in xtb.

Hello, Which version of CMake, which generator, and which Fortran compiler have you used?

I see, I tested this with meson/ninja/ifort combination. I will look into it:)

All right, I can reproduce this, but it will probably take some time to debug

Hello, over-constraining in general could introduce numerical instabilities during optimization. Still, I cannot reproduce this behavior. Could you share your input and output data?

Hello, thanks for sharing, I can reproduce this.

I will try to fix this later myself, but feel free to contribute

It most likely the problem with your local environment. If you can share the `meson-log.txt` file (located at `/meson-logs/meson-log.txt`), we will try to resolve this issue.

Hi, You can use [stda](https://github.com/grimme-lab/stda) for this purpose. For more details, please check this [paper](https://pubs.aip.org/aip/jcp/article/145/5/054103/316787/Ultra-fast-computation-of-electronic-spectra-for) which provides in-depth information.

Hello, Please provide all relevant information: OS, build system version, build logs.