Re: [SIESTA-L] Fw: [SIESTA-L] help in band structure

ubject: [SIESTA-L] Fw: [SIESTA-L] help in band structure - Forwarded Message From: Sonia Mehra <[EMAIL PROTECTED]> To: SIESTA-L@listserv.uam.es Sent: Wednesday, 2 April, 2008 5:40:15 PM Subject: [SIESTA-L] help in band structure Dear Users, Please help me out in band structure .I m wo

Re: [SIESTA-L] Fw: [SIESTA-L] help in band structure

Hi Sonia, First, I don't know the exact meaning of your 'bandline'. I guess, you are talking about energy band. If yes, then your results are OK. The total number of energy bands is equal to the total number of basis orbitals. In your case you have 5 orbitals ( 1 for Mg 3s, 1 for S 3s, 3 for S 3p