Dear Siesta users and developers,
Thank you for all of your advice. I am using Siesta version 4.1-b3 on Compute Canada (graham) cluster. I faced the following error at the first of my CG simulation: Folding of H and S is implicitly performed As I read in the archive of mailing list, it is a bug of the code. Could you please guide me how I can fix it? Thank you so much in advance. Best regards, Mina
