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3Â¥: Originally posted by lurencyj at 2012-02-20 17:18:33:
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   2 READ(5,*,END=99) IAN1, IMN1, IAN2, IMN2, CHARGE, NDEGv, NDEBv


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  11 23  11 23  0  1  1                 % IAN1 IMN1 IAN2 IMN2 CHARGE NDEGv NDEBv
'(iii) Liu et al. JCP 111, 3494 (1999) NDE functions for Na2:  VEXT = 0'
6  1  1 1  3 2   61.41d0  4.4867d-2   % NLR ITYPE IZP0 IZQ0 NP0 NQ0 VD XCN0
0.436636d0  -3.529d-3  1.54d-5
4.8d-2  1.366d-2
3  1 0  7 0  3.0921d-3                % ITYPB IZP1 IZQ1 NP1 NQ1 XCN1
0.1341d0  -1.6863d-2  9.2d-4  -2.810837d-5  4.924d-7  -4.61952d-9  1.8d-11
1  2   0.d0                           % Kaiser NSV VEXT
  -0.4d0  0.2d0  1.6d0                 %(1) V1 DV V2
   1.d0   1.0d0 61.d0                  %(2) V1 DV V2
4Â¥2012-02-21 09:42:39
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lijie169

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Äã²»¶®Fortranô£¿Õâ¸öÊÇÔËÐдíÎó....
2Â¥2012-02-20 12:24:07
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lurencyj

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3Â¥2012-02-20 17:18:33
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black2982

½ð³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
2Â¥: Originally posted by lijie169 at 2012-02-20 12:24:07:
Äã²»¶®Fortranô£¿Õâ¸öÊÇÔËÐдíÎó....

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