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ÎÒËãÁËÒ»¸öNbµÄ±íÃæ ÍêÁË×ÜÊDZ¨´í VERY BAD NEWS! internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong to different class of lattices. 40 INCAR ISTART=0 ENCUT=400 GGA=91 ISMEAR=0 PREC=Accurate ICHAGE=2 LREAL=A KPOINTS Automatic generation 0 Monhkorst pack 5 5 1 0 0 0 ~ POSCARÊÇ´ÓCASTEPÀ�¹ýÀ´µÄ Nb 1 0.0000000000 0.0000000000 24.9771713923 6.6331068990 0.0000000000 0.0000000000 0.0000000000 6.6331068990 0.0000000000 28 Direct 0.0581572321 0.0000000000 0.0000000000 0.3302266612 0.0000000000 0.0000000000 0.1935534250 0.0000000000 0.0000000000 0.0581572321 0.5000000000 0.5000000000 0.3302266612 0.5000000000 0.5000000000 0.1935534250 0.5000000000 0.5000000000 0.0588877459 0.0000000000 0.5000000000 0.3200810260 0.0000000000 0.5000000000 0.1936772863 0.0000000000 0.5000000000 0.0588877459 0.5000000000 0.0000000000 0.3200810260 0.5000000000 0.0000000000 0.1936772863 0.5000000000 0.0000000000 0.1247281847 0.2500822308 0.2499177692 0.3994516127 0.3119709366 0.1880290634 0.0000000000 0.2499458663 0.2500541337 0.2593022603 0.2561622011 0.2438377989 0.1247281847 0.7499177692 0.7500822308 0.3994516127 0.6880290634 0.8119709366 0.0000000000 0.7500541337 0.7499458663 0.2593022603 0.7438377989 0.7561622011 0.1247281847 0.7500822308 0.2500822308 0.3994516127 0.8119709366 0.3119709366 0.0000000000 0.7499458663 0.2499458663 0.2593022603 0.7561622011 0.2561622011 0.1247281847 0.2499177692 0.7499177692 0.3994516127 0.1880290634 0.6880290634 0.0000000000 0.2500541337 0.7500541337 0.2593022603 0.2438377989 0.7438377989 ~ ~ ~ ~ Çë½Ì¸÷λ¸ßÊÖÁË£¬ÕâÊÇÔõô»ØÊÂÁ¨¡£Ä£ÐÍÊÇÓÅ»¯ºÃµÄ£¬ÎÒÏëËãËûµÄ×ÜÄÜÁ¿¡£ |
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10Â¥2009-09-08 13:34:45
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Reciprocal lattice and k-lattice belong to different class of lattices ÊDz»ÊÇÄãÓÅ»¯¸Ä±ä½á¹¹±È½Ï´ó£¬È»ºóÓÃͬÑùµÄKµã¾Í²»ÐÐÁË |
2Â¥2009-09-07 19:26:52
3Â¥2009-09-07 19:28:13
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Sassari(½ð±Ò+1):лл²ÎÓë
Sassari(½ð±Ò+5,VIP+0):ËûÇÀµÄ 9-7 20:05
Sassari(½ð±Ò+1):лл²ÎÓë
Sassari(½ð±Ò+5,VIP+0):ËûÇÀµÄ 9-7 20:05
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4Â¥2009-09-07 20:02:05













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