On 04/29/2013 06:42 PM, ??? wrote: > 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?
It is > And can you provide some suggestions? > Provide a sample case where do you think QE is failing best regards -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 phone:+33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 5 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130429/b3825ac6/attachment.html
