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lines changed Original file line number Diff line number Diff line change @@ -83,6 +83,12 @@ void ReadInput::item_output()
8383 {
8484 Input_Item item (" printe" );
8585 item.annotation = " Print out energy for each band for every printe steps" ;
86+ item.reset_value = [](const Input_Item& item, Parameter& para) {
87+ if (para.input .printe <= 0 ) // default is scf_nmax
88+ {
89+ para.input .printe = para.input .scf_nmax ;
90+ }
91+ };
8692 read_sync_int (input.printe );
8793 this ->add_item (item);
8894 }
Original file line number Diff line number Diff line change @@ -320,7 +320,7 @@ struct Input_para
320320 int out_pot = 0 ; // /< yes or no
321321 int out_wfc_pw = 0 ; // /< 0: no; 1: txt; 2: dat
322322 bool out_wfc_r = false ; // /< 0: no; 1: yes
323- int printe = 100 ; // /< mohan add 2011-03-16
323+ int printe = 0 ; // /< Print out energy for each band for every printe step, default is scf_nmax
324324 std::vector<int > out_band = {0 , 8 }; // /< band calculation pengfei 2014-10-13
325325 int out_dos = 0 ; // /< dos calculation. mohan add 20090909
326326 bool out_mul = false ; // /< qifeng add 2019-9-10
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