0 1
Zn 0.00000000 0.00000000 0.00000000
Te 1.53075000 1.53075000 1.53075000
Zn 0.00000000 3.06150000 3.06150000
Zn 3.06150000 0.00000000 3.06150000
Zn 3.06150000 3.06150000 0.00000000
Te 1.53075000 4.59225000 4.59225000
Te 4.59225000 4.59225000 1.53075000
Te 4.59225000 1.53075000 4.59225000
Tv 6.12300000 0.00000000 0.00000000
Tv 0.00000000 6.12300000 0.00000000
Tv 0.00000000 0.00000000 6.12300000
以下是结果
Symmetry not used in FoFCou.
NB too large for integers on this machine.
Error termination via Lnk1e in /home//g09/l1110.exe at Fri Nov 8 06:52:20 2013.
Job cpu time: 0 days 1 hours 27 minutes 7.8 seconds.
File lengths (MBytes): RWF= 12592 Int= 0 D2E= 0 Chk= 801 Scr= 1
[ Last edited by touhouminori on 2013-11-9 at 21:34 ]
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