Requests for technical support from the VASP group should be posted in the VASP-forum.

At and mol further

• Try to use the conjugate gradient algorithm to the ${\displaystyle \mathrm {H} _{2}\mathrm {O} }$ molecule (example H2O).
• Calculate the vibrational frequencies of the ${\displaystyle \mathrm {H} _{2}\mathrm {O} }$ molecule (example H2O) after relaxation (example H2O vibration). Why does one find 3 modes that have small frequencies? Try EDIFF=1E-5 instead of EDIFF=1E-4.