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Expand file tree Collapse file tree Original file line number Diff line number Diff line change 3636 - [ cell\_ factor] ( #cell_factor )
3737 - [ dm\_ to\_ rho] ( #dm_to_rho )
3838 - [ chg\_ extrap] ( #chg_extrap )
39+ - [ wfc\_ extrap] ( #wfc_extrap )
3940 - [ nb2d] ( #nb2d )
4041 - [ cal\_ symm\_ repr] ( #cal_symm_repr )
4142 - [ Input files] ( #input-files )
850851- ** Description** : Charge extrapolation method for MD and relaxation calculations.
851852- ** Default** : default
852853
854+ ### wfc_extrap
855+
856+ - ** Type** : String
857+ - ** Description** : Wavefunction extrapolation method for LCAO calculations.
858+
859+ - none: Disable wavefunction-based extrapolation.
860+ - use_prev_wf: Use the previous ionic step wavefunctions as the initial guess.
861+
862+ This option is currently limited to Gamma-only LCAO calculations.
863+ The k-point, ASPC, and GExt_PROJ paths will be enabled by later updates.
864+ - ** Default** : none
865+
853866### nb2d
854867
855868- ** Type** : Integer
Original file line number Diff line number Diff line change @@ -333,6 +333,20 @@ parameters:
333333 default_value : default
334334 unit : " "
335335 availability : " "
336+ - name : wfc_extrap
337+ category : System variables
338+ type : String
339+ description : |
340+ Wavefunction extrapolation method for LCAO calculations.
341+
342+ * none: Disable wavefunction-based extrapolation.
343+ * use_prev_wf: Use the previous ionic step wavefunctions as the initial guess.
344+
345+ This option is currently limited to Gamma-only LCAO calculations.
346+ The k-point, ASPC, and GExt_PROJ paths will be enabled by later updates.
347+ default_value : none
348+ unit : " "
349+ availability : " "
336350 - name : ecutwfc
337351 category : Plane wave related variables
338352 type : Real
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