Georg Kresse, Martijn Marsman, and J¨ urgen Furthm¨ ullerComputational Physics, Faculty of Physics, Universit¨ at Wien,Sensengasse 8, A-1130 Wien, AustriaVienna, September 9, 2013This document can be retrieved from: http://cms.mpi.univie.ac.at/VASP/Please check section 1 for new ...
Thisdocumentcanberetrievedfrom:http://cms.mpi.univie.ac.at/VASP/ Pleasechecksection1fornewfeatures 1 Introduction VASPisacomplexpackageforperformingab-initioquantum-mechanicalmoleculardynamics(MD)simulationsusingpseu- dopotentialsortheprojector-augmentedwavemethodandaplanewavebasisset.TheapproachimplementedinVASP ...
作为入门者，当你想理解Vasp计算和Tag设置牵涉的物理图像的时候，请你阅读manual;作为中级用户，当你想...