Dear developers: I used v4.1.2 recalculate it, it is well.My unit cell has 4C and 2O.Is there something different between v4.1.2 and v4.2? Why the v4.2 has a jagged band?Is it a bug? -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100518/448c37c4/attachment.htm