hi srinivan, you should correct the block band lines: exemple: 1 0.000 0.000 0.000 \Gamma 100 0.000 0.000 0.500 Z Slimane,
--- En date de : Ven 22.4.11, deepak srinivasan <[email protected]> a écrit : De: deepak srinivasan <[email protected]> Objet: Re: 答复: [SIESTA-L] .bands file not getting generated À: [email protected] Date: Vendredi 22 avril 2011, 12h14 Hi correct me if i am wrong Lattice Constant according to the Siesta Manual will be automatically generated if not specified in fdf file Also as my structure is not supposed to be periodic so i should be giving a value that is larger than my structure right?? -- regards deepak 3rd Year Under Graduate Electronics Design and Manufacturing IIIT (D&M),Kancheepuram IIT Madras Campus,Chennai
