vasp安装和使用_苏长荣

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1、SCÚ¦^`²JuÆÔnXncÊ8¹8¹8¹....................................................................................................i11ÙVASP¼............................................................................112ÙVASPSC............................................................................2

2、2.13Origin2000þSC...................................................................22.1.1G1..............................................................................22.1.2¿1..............................................................................22.23LinuxBeowolf²þSC...................

3、....................................32.2.1G1..............................................................................32.2.2¿1..............................................................................42.3pre-compilerflags.....................................................................

4、....42.4ØÓBLAS¥éVASP$1K.................................................52.5ØÓFFT¥K......................................................................613ÙVASP$1............................................................................714ÙVASPÑ©.............................................

5、........................84.1KPOINTS©...........................................................................84.1.1K:Ãó)........................................................................84.1.2K:gÄ)........................................................................94.1.3Lineª........

6、.......................................................................94.2POSCAR©............................................................................104.3POTCAR©............................................................................114.4INCAR©..........................................

7、.....................................114.4.1SYSTEM...............................................................................114.4.2NWRITE................................................................