3ddscp.inp

来自「A program for computing energy levels, r」· INP 代码 · 共 10 行

   &PARAS TITLE='  Reaction matrix of the 2D problem - II  ',
          IPTYPE=1,MDIM=6,IDIM=2,NPOL=4,
          SHIFT= 0.01D0,IPRINT=0,IPRSTP=150,
          NMESH=7,RMESH=0.0D0,2000.D0,100.D0,4000.D0,2000.D0,2000.D0,11000.D0,
          NDIR=2, NDIL=1,6, NMDIL=0,
          THRSHL= 0.D0,0.D0,0.D0,0.D0,0.D0,0.D0,
          IBOUND=8, 
          FNOUT='3DNSCP.LPR',IOUT=7,POTEN='3DNSCP.PTN',IOUP=10,
          FMATR='3DNSCP.MAT',IOUM=11,EVWFN='3DNSCP.WFN',IOUF=0
   &END