Dear Maryam Jamaati, It is specified by putting the number of highest band you need to calculate fatbands. An example is given below.
WFS.Write.For.Bands .true. WFS.Band.Min 1 WFS.Band.Max 10 This gives the information for bands from 1 to 10. Note that WFS.Band.Min represent the band with lowest energy. You may also refer to this tutorial by Prof. Javier Junquera on fatbands. http://personales.unican.es/junqueraj/JavierJunquera_files/Metodos/Structuralproperties/Fatbands-SrTiO3/Exercise-Fatbands-SrTiO3.pdf For more tutorials, refer to his page http://personales.unican.es/junqueraj/JavierJunquera_files/Metodos/Hands-on-session.html Thanks & Regards Afsal From: "maryam jamaati" <m.sjama...@gmail.com> To: siesta-l@uam.es Sent: Friday, February 2, 2018 1:48:49 AM Subject: [SIESTA-L] wsf.band.max problem Dear siesta users, How we can specify number of wfs.band.max for calculation of fatband? sincerely yours, maryam jamaati
