<div>Hello All, </div><div><br></div>I am working with the TiC example in the user guide. I run the StructGen command, the SCF
calculations and then do the volume optimization. I notice that the case.struct file
changes after volume optimization, however the lattice parameter in case.struct file
doesn't match up with the optimized lattice parameter that is given by the
.outputeos file. If we want to perform further calculations using a volume
optimized structure, are we supposed to use the updated case.struct file that the
program creates, or do we need to manually edit the case.struct file to provide the
optimized lattice parameter given in the .outputeos file?<br><br><div><br></div><div>Judy Cherian </div><div><br></div><div>Graduate Student</div><div>Florida State University/NHMFL</div><div>Tallahassee, FL</div>