>Dear all,
>There are so many pseudopotential files available in www.pwscf.org/pseudo.
>And which one is most perfect.For example Al:
>Al.pbe-rrkj.UPF Al.pz-vbc.UPF
>Al.pbe-n-van.UPF >Al.pw91-n-van.UPF Al.blyp-n-van_ak.UPF
>Al.bp-n-van_ak.UPF
>
>The troubleshooting in the manual said that ' maybe your system does have
>>negative or strange phonon frequencies with the approximations you used '.
>
>Could anyone tell me which pseudopotential I have to choose if I encountered
>the >problems. Thank you so much.
>Regurds
---------------------------------
??????????
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20071101/bd13fcee/attachment.htm