3ddgss.inp

来自「A program for computing energy levels, r」· INP 代码 · 共 9 行

   &PARAM TITLE='  Ground state energy level of the 2D problem  ', 
          IPTYPE=0,NROOT=1,MDIM=6,IDIM=2,NPOL=4,RTOL=1.D-15,
          NITEM=20,SHIFT=-1.1D0,IPRINT=0,IPRSTP=100,
          NMESH=5,RMESH=0.0D0,100.D0,10.D0,150.D0,50.D0,
          NDIR=2, NDIL=1,6, NMDIL=0,
          IBOUND=3,                    
          FNOUT='3DNGSS.LPR',IOUT=7,POTEN='3DNGSS.PTN',IOUP=10,
          FMATR='3DNGSS.MAT',IOUM=11,EVWFN='3DNGSS.WFN',IOUF=0
   &END