本文为一个查阅性的记录文章，也可以说是搬运，内容取自侯柱锋老师的使用VASP的个人经验手册
| 元素 |
普通赝势 (eV) |
高硬赝势 (eV) |
软赝势 (eV) |
d 电子作为半芯态来处理赝势 (eV) |
| B |
318 |
700 (B_h) |
250 (B_s) |
- |
| C |
400 |
700 (C_h) |
273 (C_s) |
- |
| N |
400 |
700 (N_h) |
250 (N_s) |
- |
| O |
400 |
700 (O_h) |
250 (O_s) |
- |
| F |
400 |
700 (F_h) |
250 (F_s) |
- |
| Al |
240 |
295 (Al_h) |
- |
- |
| Si |
245 |
380 (Si_h) |
- |
- |
| P |
270 |
390 (P_h) |
- |
- |
| S |
280 |
402 (S_h) |
- |
- |
| Cl |
280 |
409 (Cl_h) |
- |
- |
| Ga |
134 |
404 (Ga_h) |
- |
282 (Ga_d) |
| Ge |
173 |
410 (Ge_h) |
- |
287 (Ge_d) |
| As |
208 |
- |
- |
- |
| Se |
211 |
- |
- |
- |
| Br |
216 |
- |
- |
- |
| In |
95 |
- |
- |
239 (In_d) |
| Sn |
103 |
- |
- |
241 (Sn_d) |
| Sb |
172 |
- |
- |
- |
| Te |
174 |
- |
- |
- |
| I |
175 |
- |
- |
- |
| Tl |
95 |
- |
- |
239 (Tl_d) |
| Pb |
98 |
- |
- |
237 (Pb_d) |
| Bi |
105 |
- |
- |
242 (Bi_d) |
| 元素 |
X——普通赝势 (eV) |
X_h——硬赝势 (eV) |
其他赝势 (eV) |
| H |
250 |
700 (H_h) |
- |
| Li |
140 |
- |
271 (Li_sv) |
| Be |
300 |
- |
308 (Be_sv) |
| Na |
81 |
- |
300 (Na_pv), 700 (Na_sv) |
| Mg |
210 |
- |
265 (Mg_pv) |
| K |
- |
- |
150 (K_pv), 259 (K_sv) |
| Ca |
- |
- |
150 (Ca_pv), 290 (Ca_sv) |
| Rb |
- |
- |
121 (Rb_pv), 220 (Rb_sv) |
| Sr |
- |
- |
226 (Sr_sv) |
| Cs |
- |
- |
220 (Cs_sv) |
| Ba |
- |
- |
187 (Ba_sv) |
| 元素 |
普通赝势 (eV) |
X_pv赝势 (eV) |
X_sv赝势 (eV) |
| Sc |
- |
- |
222 (Sc_sv) |
| Ti |
178 |
222 (Ti_pv) |
- |
| V |
192 |
263 (V_pv) |
- |
| Cr |
227 |
265 (Cr_pv) |
- |
| Mn |
269 |
269 (Mn_pv) |
- |
| Fe |
267 |
293 (Fe_pv) |
- |
| Co |
267 |
- |
- |
| Ni |
269 |
367 (Ni_pv) |
- |
| Cu |
273 |
368 (Cu_pv) |
- |
| Zn |
276 |
- |
- |
| Y |
- |
- |
211 (Y_sv) |
| Zr |
- |
- |
229 (Zr_sv) |
| Nb |
- |
207 (Nb_pv) |
- |
| Mo |
224 |
224 (Mo_pv) |
- |
| Tc |
228 |
228 (Tc_pv) |
- |
| Ru |
213 |
230 (Ru_pv) |
- |
| Rh |
228 |
271 (Rh_pv) |
- |
| Pd |
250 |
350 (Pd_pv) |
- |
| Ag |
249 |
- |
- |
| Cd |
274 |
- |
- |
| Hf |
220 |
220 (Hf_pv) |
- |
| Ta |
223 |
223 (Ta_pv) |
- |
| W |
223 |
223 (W_pv) |
- |
| Re |
226 |
226 (Re_pv) |
- |
| Os |
228 |
228 (Os_pv) |
- |
| Ir |
210 |
- |
- |
| Pt |
230 |
- |
- |
| Au |
229 |
- |
- |
| Hg |
233 |
- |
- |