[Pw_forum] Relaxation

2012-11-01 Thread Sakhrawi Taoufek
%%% thinks Sakhraoui Taoufik Ph.D student Faculty of Sciences of Monastir Department of Physics L.M.C.N Monastir, Tunisia ---- -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121101/d362f9c1/attachment.html

[Pw_forum] Relaxation

2012-11-01 Thread Axel Kohlmeyer
On Thu, Nov 1, 2012 at 6:04 PM, Sakhrawi Taoufek wrote: > Dear all > i try do relax atomic positions with constant volume for FeRh non magnetic > compound, two comments: [...] > ## > i get this error > > > %

[Pw_forum] the smooth step function vc-relax

2012-11-01 Thread Yongsheng Zhang
calculations. Thanks Zhang Material Sciences & Engineering Northwestern University -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121101/7d858c2a/attachment.html

[Pw_forum] Relaxtion

2012-11-01 Thread Sakhrawi Taoufek
%%% thinks Sakhraoui Taoufik Ph.D student Faculty of Sciences of Monastir Department of Physics L.M.C.N Monastir, Tunisia ---- -- next part -- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121101/64274de8/attachment.html