Hi All, I have performed a simple "relax" job for a few-layered Al slab. The input file is similar to that in example03 but with an un(?)important difference that all z-coordinates are positive, starting from z=0.0 for the first layer:
Al 0.00000 0.0000000 0.0000000 0 0 0 I have also constrined this z=0 atom to stay at that position during the relaxation. But, at the end all atoms (including the first one) are moved in the positive z direction. How can I handle it? Best regards, Mahmoud Payami, AEOI, Tehran, Iran
