LASPH-tag in VASP 5.2
Posted: Mon Mar 29, 2010 1:32 pm
dear all,
When reading the VASP manual on the LASPH-tag( here ) I got confused.
It says:
OR
* does this mean that for VASP.5.X the default value is true instead of false?
thx,
Danny
<span class='smallblacktext'>[ Edited ]</span>
When reading the VASP manual on the LASPH-tag( here ) I got confused.
It says:
* Does this mean that there are new potentials (POTCAR-files) for VASP.5.X? If so, what is the generation date of the most recent potentials I should look for.
Default .FALSE.
...
For VASP.5.X the aspherical contributions are properly accounted for in the Kohn-Sham potential as well. This is essential for accurate total energies and band structure calculations for f-elements (e.g. ceria), all 3d-elements (transition metal oxides), and magnetic atoms in the 2nd row (B-F atom).
OR
* does this mean that for VASP.5.X the default value is true instead of false?
thx,
Danny
<span class='smallblacktext'>[ Edited ]</span>