?Hello All,
As mentioned in the email below, I am trying to obtain eigenvalues for each time step at a particular temperature. I do not know the best way to get these eigenvalues. Do I need to incorporate print/write statements into Siesta or is there a better way? Any suggestion would be appreciated. Thanks, Dale Igram ________________________________ From: Igram, Dale Sent: Wednesday, January 14, 2015 10:34 AM To: [email protected] Subject: Obtaining eigenvalues for each time step Hello, I am doing molecular dynamic calculations for different temperatures. I need to obtain the eigenvalues for each time step at a specific temperature, in order to determine average values for the eigenvalues. The average values will be used to determine the DOS values. My problem is I do not know how to do this. Are there any suggests? Thank you. Dale Igram?
