Interpolation band error
Posted: Sun Mar 30, 2025 2:30 pm
Dear all,
When I completed the gw calculation and got the o.qp file, then I used ypp to interpolate the band and there was an error, so that there was no correct output, nor any error message.
Thank you in advance for your help!
Best,
sunxl
When I completed the gw calculation and got the o.qp file, then I used ypp to interpolate the band and there was an error, so that there was no correct output, nor any error message.
<---> [06.03] Interpolation@work: Circuit
<---> [INTERPOLATION] Number of shells: 3306
<---> Interpolation@E_K_PATH (star) | | [000%] --(E) --(X)
<---> Interpolation@E_K_PATH (star) |########################################| [100%] --(E) --(X)
<---> Interpolation@E_K_PATH (H fill) | | [000%] --(E) --(X)
<---> Interpolation@E_K_PATH (H fill) |########################################| [100%] --(E) --(X)
<---> Interpolation@E_K_PATH (computing engre) | | [000%] --(E) --(X)
<---> Interpolation@E_K_PATH (computing engre) |########################################| [100%] --(E) --(X)
<---> Interpolate@E_K_PATH Fourier | | [000%] --(E) --(X)
<---> Interpolate@E_K_PATH Fourier |########################################| [100%] --(E) --(X)
<---> [INTERPOLATION@E_K_PATH] Errors: Max, Avg, Avg_rel = 4.78923321E-05 4.84519251E-06 2.22594617E-03
<---> Interpolate@E_K_PATH Fourier | | [000%] --(E) --(X)
<---> Interpolate@E_K_PATH Fourier |########################################| [100%] --(E) --(X)
<---> [06.04] Fermi Levels
<---> Fermi Level (BUILT-in bands) : -0.213557 [eV]
<---> [06.05] Bands output
Thank you in advance for your help!
Best,
sunxl