From owner-chemistry /at\ccl.net Mon Jun 18 11:50:01 2007 From: "Jhashanath Adhikari jadhikari]|[clarku.edu" To: CCL Subject: CCL: Question about CAESAR 2.0 for solids software error Message-Id: <-34510-070618113737-32321-srHnOKG6H0Ny4oemO79SvQ,,server.ccl.net> X-Original-From: "Jhashanath Adhikari" Date: Mon, 18 Jun 2007 11:37:34 -0400 Sent to CCL by: "Jhashanath Adhikari" [jadhikari-,-clarku.edu] Hi, I just started using the Extended Huckel Tight Binding calculations as implemented in CAESAR 2.0 software. The first run was fine and successful but the second run with higher number of k points never could be started as it cannot open the .bi input file. I am using windows XP professional edition with 2.80 GHz processor and 1 GB memory. My question- Why is it not accepting the new input file while it did for the first calculation? I would be grateful if you have a solution or suggestions for this. I could not find an answer elsewhere. Thanking you. J Adhikari