thank you for your reply. 在2011-03-04 15:45:33，"Nguyen Ngoc Ha" <[email protected]> 写道：
Hi, I have asked this problem and known that: The TD-DFT module is only implemented in a private version of SIESTA at the moment. I don't know when this module will be released for all users. Good luck! Nguyen, Ngoc Ha Hanoi National University of Education Faculty of Chemistry Department of Physical Chemistry Tel: Office: 04/38330842 Home: 04/37891674 Mobile: 0989133436 From: caqhero <[email protected]> To:[email protected] Sent: Thu, March 3, 2011 10:55:26 PM Subject: [SIESTA-L] how to make real-time time-dependent DFT calculation by using the SIESTA hi, every one, I read a paper about the real-time time-dependent DFT calculation using the SIESTA. So, I want to know how to set the parameter to do such calculation? can anybody tell me the details. thank you!
