Dear SIESTA users: The atoms can fully relax if you do a relaxation. But if I want to fix some atoms, while the others can relax. Or if I want to make some atoms can only relax in z direction but are fixed in x and y direction. Can SIESTA do this? Thanks in advance. Yours Clutch
- [SIESTA-L] How to fix some of the atoms while doing... Clutch Q. J. Fan
- Re: [SIESTA-L] How to fix some of the atoms wh... Yurko Natanzon
- Re: [SIESTA-L] How to fix some of the atom... Marcos Verissimo Alves
- Re: [SIESTA-L] How to fix some of the atoms wh... Rainer Hoft

