[Pw_forum] Is the results of structural relaxiation by pwscf accurate?

李晓川 18733462676 at 163.com
Mon Apr 29 18:42:32 CEST 2013


dear all
       According to my trying with different software,i found that there is a large difference between relaxiation with pwscf and other software(e.g.vasp and castep),So i want to know wh ether the relaxiation of pwscf is reliable? And can  you provide some suggestions? 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130430/71c618df/attachment.html>


More information about the users mailing list