On 06/30/2011 10:42 PM, WANG Wei wrote: > Prof. Giannozzi, > It should be press=720 ! 72GPa. > By the way, what are the values of ave, avec, e, eal, p, tv files > in the vc-md calculations.
From where you know the unit for press should be Gpa in default? I think for the other things you mentioned above, perhaps you can find hints from the same place. Regards. -- Hongsheng Zhao <zhaohscas at yahoo.com.cn> School of Physics and Electrical Information Science, Ningxia University, Yinchuan 750021, China
