There is one parameter missing in your fdf file, add the follow line will work:
LatticeConstant 1.00 Ang Yousong Gu 发件人: deepak srinivasan [mailto:[email protected]] 发送时间: 2011年4月22日 15:19 收件人: [email protected] 主题: Re: [SIESTA-L] .bands file not getting generated Hi I have included the lattice vectors and corrected the problem about coordinates scale but still .bands file is not getting generated isnt lattice constant auto generated? (structure size + 10%) i have attached my new input file -- regards deepak 3rd Year Under Graduate Electronics Design and Manufacturing IIIT (D&M),Kancheepuram IIT Madras Campus,Chennai
