On Mon, 29 Dec 2008, xu yuehua wrote: YX> hi all YX> i face a problem when calculate the phonon at G of excited state?
what _kind_ of excited state? what are the inputs that you were using? as has been mentioned here _many_ times, the more details you provide, the better chances you have of getting a useful answer, or any answer at all. axel. YX> iter # 78 total cpu time : 20566.8 secs av.it.: 141.6 [...] -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
