# Pseudopotentials

For solid state MOF materials, the VASP 5.4 PBE projector-augmented wave (PAW) pseudopotentials were used to carry out the DFT calculations. In general, the [VASP-recommended](https://www.vasp.at/wiki/index.php/Available_PAW_potentials) PAW PBE potentials were adopted except for `Li`, `Eu_3`, `Yb_3`, and `W_sv`. The full list of pseudopotentials is shown below:

<table><thead><tr><th width="320.57142857142856">Element</th><th>VASP 5.4 Pseudopotentials</th></tr></thead><tbody><tr><td>Ag</td><td>PAW_PBE Ag 02Apr2005</td></tr><tr><td>Al</td><td>PAW_PBE Al 04Jan2001</td></tr><tr><td>As</td><td>PAW_PBE As 22Sep2009</td></tr><tr><td>Au</td><td>PAW_PBE Au 04Oct2007</td></tr><tr><td>B</td><td>PAW_PBE B 06Sep2000</td></tr><tr><td>Ba</td><td>PAW_PBE Ba_sv 06Sep2000</td></tr><tr><td>Be</td><td>PAW_PBE Be 06Sep2000</td></tr><tr><td>Bi</td><td>PAW_PBE Bi_d 06Sep2000</td></tr><tr><td>Br</td><td>PAW_PBE Br 06Sep2000</td></tr><tr><td>C</td><td>PAW_PBE C 08Apr2002</td></tr><tr><td>Ca</td><td>PAW_PBE Ca_sv 06Sep2000</td></tr><tr><td>Cd</td><td>PAW_PBE Cd 06Sep2000</td></tr><tr><td>Ce</td><td>PAW_PBE Ce 23Dec2003</td></tr><tr><td>Cl</td><td>PAW_PBE Cl 06Sep2000</td></tr><tr><td>Co</td><td>PAW_PBE Co 02Aug2007</td></tr><tr><td>Cr</td><td>PAW_PBE Cr_pv 02Aug2007</td></tr><tr><td>Cs</td><td>PAW_PBE Cs_sv 08Apr2002</td></tr><tr><td>Cu</td><td>PAW_PBE Cu 22Jun2005</td></tr><tr><td>Dy</td><td>PAW_PBE Dy_3 06Sep2000</td></tr><tr><td>Er</td><td>PAW_PBE Er_3 06Sep2000</td></tr><tr><td>Eu</td><td>PAW_PBE Eu_3 20Oct2008</td></tr><tr><td>F</td><td>PAW_PBE F 08Apr2002</td></tr><tr><td>Fe</td><td>PAW_PBE Fe 06Sep2000</td></tr><tr><td>Ga</td><td>PAW_PBE Ga_d 06Jul2010</td></tr><tr><td>Gd</td><td>PAW_PBE Gd_3 06Sep2000</td></tr><tr><td>Ge</td><td>PAW_PBE Ge_d 03Jul2007</td></tr><tr><td>H</td><td>PAW_PBE H 15Jun2001</td></tr><tr><td>Hf</td><td>PAW_PBE Hf_pv 06Sep2000</td></tr><tr><td>Hg</td><td>PAW_PBE Hg 06Sep2000</td></tr><tr><td>Ho</td><td>PAW_PBE Ho_3 06Sep2000</td></tr><tr><td>I</td><td>PAW_PBE I 08Apr2002</td></tr><tr><td>In</td><td>PAW_PBE In_d 06Sep2000</td></tr><tr><td>Ir</td><td>PAW_PBE Ir 06Sep2000</td></tr><tr><td>K</td><td>PAW_PBE K_sv 06Sep2000</td></tr><tr><td>La</td><td>PAW_PBE La 06Sep2000</td></tr><tr><td>Li</td><td>PAW_PBE Li 17Jan2003</td></tr><tr><td>Lu</td><td>PAW_PBE Lu_3 06Sep2000</td></tr><tr><td>Mg</td><td>PAW_PBE Mg 13Apr2007</td></tr><tr><td>Mn</td><td>PAW_PBE Mn_pv 02Aug2007</td></tr><tr><td>Mo</td><td>PAW_PBE Mo_sv 02Feb2006</td></tr><tr><td>N</td><td>PAW_PBE N 08Apr2002</td></tr><tr><td>Na</td><td>PAW_PBE Na_pv 19Sep2006</td></tr><tr><td>Nb</td><td>PAW_PBE Nb_sv 25May2007</td></tr><tr><td>Nd</td><td>PAW_PBE Nd_3 06Sep2000</td></tr><tr><td>Ni</td><td>PAW_PBE Ni 02Aug2007</td></tr><tr><td>Np</td><td>PAW_PBE Np 06Sep2000</td></tr><tr><td>O</td><td>PAW_PBE O 08Apr2002</td></tr><tr><td>P</td><td>PAW_PBE P 06Sep2000</td></tr><tr><td>Pb</td><td>PAW_PBE Pb_d 06Sep2000</td></tr><tr><td>Pd</td><td>PAW_PBE Pd 04Jan2005</td></tr><tr><td>Pr</td><td>PAW_PBE Pr_3 07Sep2000</td></tr><tr><td>Pt</td><td>PAW_PBE Pt 04Feb2005</td></tr><tr><td>Pu</td><td>PAW_PBE Pu 06Sep2000</td></tr><tr><td>Rb</td><td>PAW_PBE Rb_sv 06Sep2000</td></tr><tr><td>Re</td><td>PAW_PBE Re 17Jan2003</td></tr><tr><td>Rh</td><td>PAW_PBE Rh_pv 25Jan2005</td></tr><tr><td>Ru</td><td>PAW_PBE Ru_pv 28Jan2005</td></tr><tr><td>S</td><td>PAW_PBE S 06Sep2000</td></tr><tr><td>Sb</td><td>PAW_PBE Sb 06Sep2000</td></tr><tr><td>Sc</td><td>PAW_PBE Sc_sv 07Sep2000</td></tr><tr><td>Se</td><td>PAW_PBE Se 06Sep2000</td></tr><tr><td>Si</td><td>PAW_PBE Si 05Jan2001</td></tr><tr><td>Sm</td><td>PAW_PBE Sm_3 07Sep2000</td></tr><tr><td>Sn</td><td>PAW_PBE Sn_d 06Sep2000</td></tr><tr><td>Sr</td><td>PAW_PBE Sr_sv 07Sep2000</td></tr><tr><td>Tb</td><td>PAW_PBE Tb_3 06Sep2000</td></tr><tr><td>Tc</td><td>PAW_PBE Tc_pv 04Feb2005</td></tr><tr><td>Te</td><td>PAW_PBE Te 08Apr2002</td></tr><tr><td>Th</td><td>PAW_PBE Th 07Sep2000</td></tr><tr><td>Ti</td><td>PAW_PBE Ti_sv 26Sep2005</td></tr><tr><td>Tl</td><td>PAW_PBE Tl_d 06Sep2000</td></tr><tr><td>Tm</td><td>PAW_PBE Tm_3 20Jan2003</td></tr><tr><td>U</td><td>PAW_PBE U 06Sep2000</td></tr><tr><td>V</td><td>PAW_PBE V_pv 07Sep2000</td></tr><tr><td>W</td><td>PAW_PBE W_sv 04Sep2015</td></tr><tr><td>Y</td><td>PAW_PBE Y_sv 25May2007</td></tr><tr><td>Yb</td><td>PAW_PBE Yb_3 08Jul2013</td></tr><tr><td>Zn</td><td>PAW_PBE Zn 06Sep2000</td></tr><tr><td>Zr</td><td>PAW_PBE Zr_sv 04Jan2005</td></tr></tbody></table>


---

# Agent Instructions: Querying This Documentation

If you need additional information that is not directly available in this page, you can query the documentation dynamically by asking a question.

Perform an HTTP GET request on the current page URL with the `ask` query parameter:

```
GET https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/psuedopotentials.md?ask=<question>
```

The question should be specific, self-contained, and written in natural language.
The response will contain a direct answer to the question and relevant excerpts and sources from the documentation.

Use this mechanism when the answer is not explicitly present in the current page, you need clarification or additional context, or you want to retrieve related documentation sections.