sir i get the following error while running transiesta for scattering characteristics for C-GGA (a file which i downloaded from this mailing list only)
*Left.GF already exist, will be overwritten! Efermi: 0.0000000000000000 GF: Spin number -> 1 Got LEFT Electrode GF Done Begin RIGHT unit cell: 31.1805 0.0000 0.0000 0.0000 15.1178 0.0000 0.0000 0.0000 8.3203 Size: 20736 Right.GF already exist, will be overwritten! Efermi: -0.0000000000000000 GF: Spin number -> 1 Got RIGHT Electrode GF Done ERROR: lastoR,NGR2 0 16 32 48 64 80 96 112 128 144 160 176 192 208 224 -4375 -5920 144 ERROR: Unexpected no. orbs. in R elec. ERROR STOP from Node: 0 * my right and left electrodes are identical and hence i use the same TSHS file. also while running the code the values of Eharris(eV) E_KS(eV) FreeEng(eV) dDmax Ef(eV) vary greatly for myself(am using siesta 3 beta) and my professor(who uses siesta 3.0 rc-1) for the same code. is it because of the flaws in beta version? regards deepak 2nd Year Under Graduate Electronics Design and Manufacturing IIIT (D&M),Kancheepuram IIT Madras Campus,Chennai
