Problem of the wave functions of MPSH analysis

[Keep]

The spatial distribution of the MPSH wave function shown in VNL is the real part or the imaginary part of the wave function? When we export the cube, we choose the real part, and the discovery shown in VESTA is not the same as VNL.
Thanks.

[Petr Khomyakov]

Which version of QuantumATK are you using?

[Keep]

Dear Khomyakov,

The version of QuantumATK that I used is 2015.1

With best regards,

Keep

[Petr Khomyakov]

This version is no longer supported. The MPSH states can be visualized in the VNL GUI. We do not support external software such as VESTA.

[Keep]

Dear Khomyakov,

Now, we all use VNL to see MPSH states. So I want to now the MPSH states visualized in the VNL GUI  is the real part or the imaginary part of the wave function?

With best regards,

Keep

[Petr Khomyakov]

Wave functions for MPSH states are real functions, not complex.

[Keep]

Thank you very much!