[Pw_forum] vc-relax newbie question

[cesards at msi.umn.edu]

Hi Baris,

there are somethings necessary in your input:

1-use default verbosity
2-wmass is way too high. Use something like 0.002
3-In Electrons namelist use conv_thr at least as small as conv_thr=1.0d-8.
4-in Cell namelist, you have to set the target pressure (like   press=0.0).
5-dt has to be set in Control namelist. dt=80 will probably do OK.


Yours,

Cesar R.S. da Silva