Jobex: Structure Optimization and Molecular Dynamics

Topics

(1/13) > >>

[1] x2t works incorrectly

[2] Help with Setting Up Surface Hopping MD Calculations

[3] Re: Visualization of trajectory in Molecular dynamics

[4] Visualization of trajectory in Molecular dynamics

[5] Thermostat usage in Molecular dynamics

[6] Gradient Convergence Control

[7] dipole moment from MD run

[8] ERROR in convgrep step

[9] DFT: Imaginary frequencies after geometry optimization

Navigation

[0] Up one level

[#] Next page

Go to full version