Abort on BSkernel calculation: Using screening with less G than Weh interaction yambo
Posted: Tue Nov 29, 2022 8:26 am
Dear users and developers,
I'm a freshman in Yambo and I am trying to complete Bethe-Salpeter kernel runlevel test in WS2 system. After convert single-electron wavefunction from PWSCF format (Pseudopotential: ONCV with fully-relativistic) to Yambo format and finish static screening calculation, there are some warring terms occur in Bethe-Salpeter kernel runlevel and then calculation stop. You can see errors as follows:
*****************************************************************
[WARNING] Using screening with less G than Weh interaction
[WARNING]Missing all or part of PP/Em1s DB
[WARNING]Bethe Salpter section skipped. Impossible to build the kernel.
[07] Timing Overview
*****************************************************************
And the input/output files of static screening calculation and Bethe-Salpeter kernel runlevel are shown as attached files.
All the best,
Shixuan
Department of PHY,
City University of Hong Kong,
Hong Kong SAR
I'm a freshman in Yambo and I am trying to complete Bethe-Salpeter kernel runlevel test in WS2 system. After convert single-electron wavefunction from PWSCF format (Pseudopotential: ONCV with fully-relativistic) to Yambo format and finish static screening calculation, there are some warring terms occur in Bethe-Salpeter kernel runlevel and then calculation stop. You can see errors as follows:
*****************************************************************
[WARNING] Using screening with less G than Weh interaction
[WARNING]Missing all or part of PP/Em1s DB
[WARNING]Bethe Salpter section skipped. Impossible to build the kernel.
[07] Timing Overview
*****************************************************************
And the input/output files of static screening calculation and Bethe-Salpeter kernel runlevel are shown as attached files.
All the best,
Shixuan
Department of PHY,
City University of Hong Kong,
Hong Kong SAR