Hi, what does the line nxsh,nysh,nzsh mean? In userguide, it says that nxsh, nysh,nzsh specifies the number of nearest neighbor cells. What does this mean? Does it mean the number of near neighbor unit cells in x, y, and z direction? SURF 1 100 0.0 3.1415926536 100 0.0 6.2831853072 0.07 0.8 2 1.65 0.1 3 3 3 IRHO WEIT 100 END -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110914/4f4eae28/attachment.htm>
