Searched refs:Pulay_SCF_original (Results 1 – 3 of 3) sorted by relevance
1964 && Pulay_SCF==Pulay_SCF_original && SCF_iter<Pulay_SCF_original && NormRD[0]<0.01 ){ in DFT()2396 Pulay_SCF = Pulay_SCF_original; in DFT()
2469 int Pulay_SCF,Pulay_SCF_original,EveryPulay_SCF,SCF_Control_Temp; variable
976 Pulay_SCF_original = Pulay_SCF; in Input_std()