next up previous contents
Next: Structure optimization Up: Utility scripts Previous: checkparam_lapw

   
initso_lapw

initso_lapw helps you to initialize the calculations for spin-orbit coupling. In a spinpolarized case SO may reduce symmetry or equivalent atoms may become non-equivalent, and the script will help you to find proper symmetries and setup the respective input files. It is called using
initso_lapw or

initso

and you should follow the instructions and explanations of the script.

Note: for some spin polarized systems proper setup may be even more difficult than suggested in this script.

end:init_so




2000-04-11