deepak: At least, you should contain a block of lattice vector and the lattice constant which are needed for the bands calculation. For the block of coordinate, I think you use Angstrom for the coordinate but you have no unit for the block and the default one is Bohr.
Guangping 2011-04-12 Guangping Zhang 发件人: deepak srinivasan <[email protected]> 发送时间: 2011-04-12 10:35 主 题: [SIESTA-L] .bands file not getting generated 收件人: [email protected] Hi .bands file for my input is not getting generated though i have bandlines , bandlinescale and set the solution method as diagon can any of you help me find the error. I have attached my input fdf with this mail -- regards deepak 3rd Year Under Graduate Electronics Design and Manufacturing IIIT (D&M),Kancheepuram IIT Madras Campus,Chennai
