We propose to carry out Molecular dynamics simulation in VASP complex. VASP is a complex package for performing ab initio quantum mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. he interaction between ions and electrons is described using ultrasoft Vanderbilt pseudopotentials (US-PP) or the projector augmented wave method (PAW). If you represent opportunities of VASP complex and you are able to provide input files yourselves, we simulate them and send you output files. If you represent opportunities of VASP complex, but cannot provide input files, we send you the information about given files and spend consultation on their drawing up. If you do not imagine an opportunity of VASP complex, it is necessary for you to provide the information about the kind of simulation you are interested in (for example, about the kind of process you would like to simulate or about the properties of the structure you would like to receive); the kind of the result you are interested in. SEND YOU REQUEST TO ITCON-RS |