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wxdragon

于 2010-01-13 发布 文件大小:2454KB
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  用于分子/晶体图形显示和编写输入文件的图形界面程序 可以显示Gaussian 92/94/98(结构,电荷,结构优化,振动,轨道,cube文件) ADF(结构,电荷,结构优化,振动) Turbomole(结构,电荷,振动) Gamess-UK(结构,电荷,振动) VASP(结构,电荷,mdsim,ELF密度,电荷密度,LOCPOT密度,DOS) LMTO(结构,DOS-、BNDS-、COHP特性,RHO和ELF文件) CPMD(结构和密度文件) MPQC(结构,电荷) YaeHMOP(结构,轨道) JANA Siesta Conquest aixCCAD 可以读取以下程序的输入文件: VASP(POSCAR,CONTCAR...) Gaussian(*.com文件) LMTO(INIT或CTRL) Schakal(schakal文件) PDB, ICSD数据表, WIEN2K(结构文件,DOS文件) Siesta(wxDragon is an application can visualize vasp input/output files, ie POSCAR, CONTCAR, and OUTCAR files)

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