|
215 | 215 | - [of\_wt\_rho0](#of_wt_rho0) |
216 | 216 | - [of\_hold\_rho0](#of_hold_rho0) |
217 | 217 | - [of\_lkt\_a](#of_lkt_a) |
| 218 | + - [of\_xwm\_rho\_ref](#of_xwm_rho_ref) |
| 219 | + - [of\_xwm\_kappa](#of_xwm_kappa) |
218 | 220 | - [of\_read\_kernel](#of_read_kernel) |
219 | 221 | - [of\_kernel\_file](#of_kernel_file) |
220 | 222 | - [of\_full\_pw](#of_full_pw) |
@@ -2277,6 +2279,7 @@ Warning: this function is not robust enough for the current version. Please try |
2277 | 2279 | - **vw**: von Weizsäcker. |
2278 | 2280 | - **tf+**: TF $\rm{\lambda}$ vW, the parameter $\rm{\lambda}$ can be set by `of_vw_weight`. |
2279 | 2281 | - **lkt**: Luo-Karasiev-Trickey. |
| 2282 | + - **xwm**: Xu-Wang-Ma |
2280 | 2283 |
|
2281 | 2284 | Machine learning (ML) based functionals: |
2282 | 2285 | - **ml**: ML-based KEDF allows for greater flexibility, enabling users to set related ML model parameters themselves. see [ML-KEDF: machine learning based kinetic energy density functional for OFDFT](#ml-kedf-machine-learning-based-kinetic-energy-density-functional-for-ofdft). |
@@ -2323,14 +2326,14 @@ Warning: this function is not robust enough for the current version. Please try |
2323 | 2326 | ### of_tf_weight |
2324 | 2327 |
|
2325 | 2328 | - **Type**: Real |
2326 | | -- **Availability**: OFDFT with `of_kinetic=tf, tf+, wt` |
| 2329 | +- **Availability**: OFDFT with `of_kinetic=tf, tf+, wt, xwm` |
2327 | 2330 | - **Description**: Weight of TF KEDF (kinetic energy density functional). |
2328 | 2331 | - **Default**: 1.0 |
2329 | 2332 |
|
2330 | 2333 | ### of_vw_weight |
2331 | 2334 |
|
2332 | 2335 | - **Type**: Real |
2333 | | -- **Availability**: OFDFT with `of_kinetic=vw, tf+, wt, lkt` |
| 2336 | +- **Availability**: OFDFT with `of_kinetic=vw, tf+, wt, lkt, xwm` |
2334 | 2337 | - **Description**: Weight of vW KEDF (kinetic energy density functional). |
2335 | 2338 | - **Default**: 1.0 |
2336 | 2339 |
|
@@ -2372,6 +2375,20 @@ Warning: this function is not robust enough for the current version. Please try |
2372 | 2375 | - **Description**: Parameter a of LKT KEDF (kinetic energy density functional). |
2373 | 2376 | - **Default**: 1.3 |
2374 | 2377 |
|
| 2378 | +### of_xwm_rho_ref |
| 2379 | + |
| 2380 | +- **Type**: Real |
| 2381 | +- **Availability**: OFDFT with `of_kinetic=xwm` |
| 2382 | +- **Description**: Reference charge density for XWM kinetic energy functional. If set to 0, the program will use average charge density. |
| 2383 | +- **Default**: 0.0 |
| 2384 | + |
| 2385 | +### of_xwm_kappa |
| 2386 | + |
| 2387 | +- **Type**: Real |
| 2388 | +- **Availability**: OFDFT with `of_kinetic=xwm` |
| 2389 | +- **Description**: Parameter $\kappa$ for XWM kinetic energy functional. See PHYSICAL REVIEW B 100, 205132 (2019) for optimal values. |
| 2390 | +- **Default**: 0.0 |
| 2391 | + |
2375 | 2392 | ### of_read_kernel |
2376 | 2393 |
|
2377 | 2394 | - **Type**: Boolean |
|
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