[SIESTA-L] DOS is not in accordance with the band structure

Dear all siesta users : I have computed a model using siesta,but I find that the DOS is not in accordance with the band structure,perhaps because of my error input file,I paste my input file in attached file ,can you help me?thank you very much in advance! sincerely zhiyong

Re: [SIESTA-L] DOS is not in accordance with the band structure

Dear Zhiyong, you can try to reduce the broadening to 0.005, 0.120 is (maybe) to high, and increase the number of points to 2000, but it may not help. Also, sometimes a shift of the kpoints can help (not always). I have the same problem very frequently, the DOS is not

Re: [SIESTA-L] DOS is not in accordance with the band structure

Dear pablo: Thank you very much for your reply,and I will have a try.I hope that it will help me. sincerely zhiyong