I want to define a slab with vacuum only in the z direction.
I need only define the width of my cell with the z direction longer than the width of the bulk or I need to define the abinit 'vacwidth' parameter ?
Search found 3 matches
- Thu Mar 31, 2011 4:36 pm
- Forum: Ground state
- Topic: how to set vacuum in a slab
- Replies: 0
- Views: 2229
- Thu Sep 09, 2010 4:09 pm
- Forum: Ground state
- Topic: EF, VBE and CBE values
- Replies: 1
- Views: 2111
EF, VBE and CBE values
Does the output file gives me the values of fermi energy, VBE and CBE? Is there any parameter that I need to adjust in the input file?
- Thu Aug 26, 2010 10:19 pm
- Forum: Ground state
- Topic: Use of previous atomic positions from the OTHER run
- Replies: 1
- Views: 2194
Use of previous atomic positions from the OTHER run
I'm doing a geometry relaxation. Can I use the atomic positions calculated from another run to restart my job? Is there a file that Abinit read from another run to continue the job with the last atomic positions calculated? Or I need to cut and past the last coordinates from the log (or output) to t...