Dear all, I have strange question to ask. this question is about transiesta under bais.
I have successfully performed a transiesta calculation with zero bais (TS.Voltage = 0.0 eV) Then I continue the calculation with TS.Voltage = 0.1 eV started from the .TSHS obtain previously. However, the transiesta stop for the following error: " Real-axis: From EFermiR to EFermiL Gaussian fermi contour, ngau= -1 ERROR: No. points= 5 not valid for real axis gaussian quadrature, mi n 10 ERROR: Contour: too few points for real axis int " My Transiesta options are: "SolutionMethod transiesta # TS options TS.Voltage 0.1 eV #default=0 TS.MixH true #default=false #TS.TriDiag true #default=false # ELECTRODE options TS.HSFileLeft ./Au-LEL.TSHS TS.NumUsedAtomsLeft 147 TS.BufferAtomsLeft 0 TS.HSFileRight ./Au-LEL.TSHS TS.NumUsedAtomsRight 147 TS.BufferAtomsRight 0 # GF options #TS.CalcGF false TS.ComplexContour.Emin -30.0 eV TS.ComplexContour.NPoles 6 TS.ComplexContour.NCircle 30 TS.ComplexContour.NLine 10 # BIAS OPTIONS TS.biasContour.NumPoints 5 " Does anybody has experiences on such a problem? Thanks in advance, arlonne
