[Pw_forum] how to determine the mass of virtual-atom generated by virtual.x

wangjunjie1981_0 wangjunjie1981_0 at 163.com
Thu Oct 25 15:41:45 CEST 2007


Dear StefanoThank you for your answer.I have another question that how to determine the mass of virtual-atom potential generated by virtual.x. it is equal to the mass of the main atom, or (1-x) M1+x M2, M1 is mass of potential1 and M2 is mass of potential2. Thank you for your adviceBest regardsJunjie Wang   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20071025/a9447eb3/attachment.html>


More information about the users mailing list