p4vasp - molecule geometry
Posted: Wed Sep 29, 2010 10:31 am
Hi there,
I'm using p4vasp as a visualisation tool for my vasp calculated structures. There is an applet 'rotate atoms' - can I use that to rotate my molecule in a unit cell by defined angles and get the new atomic coordinates therefor? Such as getting new coordinates for multiplied unit cells?
Or is there a comprehensive manual somewhere, explaining the features of this programme?
Thanks for any help in advance,
benzoic acid
I'm using p4vasp as a visualisation tool for my vasp calculated structures. There is an applet 'rotate atoms' - can I use that to rotate my molecule in a unit cell by defined angles and get the new atomic coordinates therefor? Such as getting new coordinates for multiplied unit cells?
Or is there a comprehensive manual somewhere, explaining the features of this programme?
Thanks for any help in advance,
benzoic acid