Top Page > Browsing

Trouble with carbon nanotubes calculation Date: 2005/10/14 00:13 Name: Paul Hello! I have a trouble with calculation of carbon nanotubes. Results of DOS calculations weren’t coincident with experimental results or other theoretical predictions. I don’t understand what I’m doing wrong. I tried C_TM_PCC pseudopotential, a 150 Ry cutoff energy, PAO radius 5.0 and s21p21 basis set

Page: [1]

Re: Trouble with carbon nanotubes calculation ( No.1 ) Date: 2005/10/15 11:18 Name: T.Ozaki Hi, How are they different from each other exactly ? Regards, T.Ozaki Re: Trouble with carbon nanotubes calculation ( No.2 ) Date: 2005/10/18 22:34 Name: Sergey Lisenkov Hi, For me it seems to be very strange, because I was succesfully performed a lot of calculations of carbon-based materials including carbon nanotubes. Obtained results were in very good agreement with other calculations and available experimental results. Good luck, Sergey

Page: [1]