gradients with and without vdw correction
Posted: Mon Aug 15, 2011 5:33 pm
Hi,
I did some calculation with the option vdw=.true. (in vasp.5.2.11) and I interest in the gradients with the dispersion and without it. As I understand the gradients with the vdw correction can be found in the OUTCAR file.
what about the gradients without the correction ?
thanks!
I did some calculation with the option vdw=.true. (in vasp.5.2.11) and I interest in the gradients with the dispersion and without it. As I understand the gradients with the vdw correction can be found in the OUTCAR file.
what about the gradients without the correction ?
thanks!