**benchmark of G**, introduced in Ref. [01]. For each molecule, the

_{0}W_{0}on 100 molecules**Vertical Ionization Potential**(VIP) and the

**Vertical Electron Affinity**(VEA) are computed with the

**WEST code**. Results are compared with corresponding values obtained using other implementations of the G

_{0}W

_{0}method and

**other codes**(see list below).

**Experimental results**of VIPs and VEAs are also reported.

**List of codes**included in this benchmark:

**Description Legend**

- AE: All Electron
- AO: Atomic Orbitals
- PSP: Pseudopotentials
- PW: Planewaves
- RS: Real Space

**License Legend**

- G: GPL
- F: Free (other licenses)
- C: Commercial
- (O): Open source (compliant with https://opensource.org/osd)

## Benchmark summary

## Vertical Ionization Potentials (VIPs)

The Mean Absolute Error (MAE) with respect to experiment of code $a$ is computed as $MAE_{a}=\frac{1}{N}\sum_{i=1}^N \left| VIP^a_i-VIP^{exp}_i\right|$. Computed values

^{[02]}with FHI-aims, TURBOMOLE, and BerkeleyGW are taken from Ref. [01]. Computed values for WEST are taken from Ref. [03]. Experimental values

^{[04]}are taken from Ref. [05]. The Vertical Ionization Potential (VIP) is computed from the quasiparticle energy of the Highest Occupied Molecular Orbital (HOMO).

### Differences between codes: VIPs

The Mean Absolute Difference (MAD) between the results of code $a$ and code $b$ is computed as $MAD_{ab}=\frac{1}{N}\sum_{i=1}^N \left| VIP^a_i-VIP^{b}_i \right|$. Values for FHI-aims, TURBOMOLE, and BerkeleyGW are taken from Ref. [01]. Values for WEST are taken from Ref. [03]. All quasiparticle energies are computed starting from PBE wavefunctions.**Legend**

- 16P: $\geq$ 16 parameters PadÃ© fit
- EXTRA: Extrapolated to complete basis set limit
- RI: Resolution of the Identity
- GPP: Generalized Plasmon Pole
- FF: Full Frequency

## Vertical Electron Affinities (VEAs)

The Mean Absolute Error (MAE) with respect to experiment of code $a$ is computed as $MAE_{a}=\frac{1}{N}\sum_{i=1}^N \left|VEA^a_i-VEA^{exp}_i\right|$. Computed values

^{[02]}with FHI-aims, TURBOMOLE, and BerkeleyGW are taken from Ref. [01]. Computed values for WEST are taken from Ref. [03]. Experimental values are taken from Ref. [05]. The Vertical Electron Affinity (VEA) is computed from the quasiparticle energy of the Lowest Unoccupied Molecular Orbital (LUMO).

### Differences between codes: VEAs

The Mean Absolute Difference (MAD) between the results of code $a$ and code $b$ is computed as $MAD_{ab}=\frac{1}{N}\sum_{i=1}^N \left|VEA^a_i-VEA^{b}_i\right|$. Values for FHI-aims, TURBOMOLE, and BerkeleyGW are taken from Ref. [01]. Values for WEST are taken from Ref. [03]. All quasiparticle energies are computed starting from PBE wavefunctions.**Legend**

- 16P: $\geq$ 16 parameters PadÃ© fit
- EXTRA: Extrapolated to complete basis set limit
- RI: Resolution of the Identity
- GPP: Generalized Plasmon Pole
- FF: Full Frequency

## All Molecules in Grid View

## All Molecules in List View

### References and notes

*GW100: Benchmarking G*, J. Chem. Theory Comput. 11, 5665 (2015).

_{0}W_{0}for Molecular Systems*et al.*, (2016). In preparation.