Dear All, I tried to figure out calculation failure of siesta-2.0 in AMD-x86-64/Pgi6.0 environment. and found siesta ceased almost at calling subroutine InitMesh.
Could you please give me some sugguest fixing such calculation failuer ? Regards, Hai-Ping -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871
