Dear Kesong,
I have successfully tested Andrea's epsilon.x against aluminum under QE-3.2.3. There is a problem with the off-diagonal elements (which should be zero for a cubic symmetry) and I don't know if he's had a chance to fix that yet. For cubic systems, the code works fine. -Paul Grant Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus <mailto:w2agz at pacbell.net> w2agz at pacbell.net <http://www.w2agz.com/> http://www.w2agz.com From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of yupiaofei(SDU) Sent: Friday, December 14, 2007 7:45 PM To: PWSCF Forum Subject: Re: [Pw_forum] Optical properties Dear Andrea, According to your guidance, I compiled the epsilon.x successfully, but I have two questions, i. I tested the epsilon.x, and it could read the outputfile by PWSCF3.2. However, it can't read the save file by PW3.0. Is that true? ii. The epsilon.x cann't support the ultra soft PP? sincerely Kesong Yang School of Physics and Microelectronics Shandong University, Jinan 250100, People's Republic of China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071215/8da1aed3/attachment-0001.htm
