[SIESTA-L] please guide me about NM, FM and AFM.
hello siesta-Admin 1. I have a problem with the magnetic properties, because its magnetic moment like 1.9 ยต_B per unit cell in theoretical papers, how to set up arguments in an fdf file. I'm sending you here my input file. 2. How to set up %block DM.InitSpin in my case. Please guide me, thank you. Ti3C2.fdf Description: Binary data -- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
[SIESTA-L] disappearing Atoms in bulk structure
hey siesta-Admin i have an issue about the disappearing Atoms in bulk structure after relaxing, i attach my relax.fdf right, here during the optimization like meshcutoff, kgrid_Monkhorst_Pack, and Latt_constt, all seem to be good but when i look after relaxing of cycle 8 they look different means atoms are disappeared. its very urgent please help me thank you relax.fdf Description: Binary data -- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
[SIESTA-L] [***Posible SPAM***]Sin Asunto/Subject is blank
i have an issue about the disappearing Atoms in bulk structure after relaxing, i attach my relax.fdf right relax.fdf Description: Binary data -- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
