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Originally posted by stou at 2009-11-12 09:09:


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Originally posted by ˮԻÛÐÄ at 2009-11-12 21:54:

ÄÇÔõôÉèÖð¡ £¿Çë¸ßÊִͽ̰¡ ÏÖÔÚÁ¬Õâ²½¶¼±»¿¨×ÅÁË ±ÀÀ£µ½¼«µã£¡»¹ÓÐ×Ô¼ºÉèÖÃÁË×ÔÐý ,ÏëÈóÌÐòÓÅ»¯×Ô¼ºÉèÖõÄÕâ¸ö×ÔÐý״̬µÄ½á¹¹£¬ÄÇôÔÚCASTEP Calculation dialogÖÐµÄ formal spin as initial Ç°ÃæÒª´òÉÏ¡ÌÂð£¿

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12Â¥2009-11-12 22:33:53
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fegg7502(½ð±Ò+1,VIP+0):thank you very much! 11-14 17:56
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Originally posted by encke at 2009-11-12 22:33:

make p1ºóÉèÖÃÖ¸¶¨µÄ·´Ìú´ÅÅŲ¼£¬È»ºóÔÙѰÕһضԳÆÐÔ£¬µ«ÔÚѰÕÒ¶Ô³ÆÐÔ֮ǰҪÔÚoptionsÀï°Ñformalspin¹´ÉÏ¡£È»ºóÔÙËã

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fegg7502(½ð±Ò+1,VIP+0):thank you very much! 11-14 17:56
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Originally posted by ˮԻÛÐÄ at 2009-11-13 19:54:


ллÄãµÄ½¨Ò飬²»¹ýÈçºÎ¡°ÔÚѰÕÒ¶Ô³ÆÐÔ֮ǰҪÔÚoptionsÀï°Ñformalspin¹´ÉÏÄØ£¿¡±ÊÇÔÚcastep calculation µÄset up ÖаÑUse formal spin as initialǰ´ò¡ÌÂð£¿È»ºóÔÙÔõÃ´ÅªÄØ£¿Ñ°ÕÒ¶Ô³ÆÐÔ²»ÊÇÔÚbulid-symmetry ...

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fegg7502(½ð±Ò+1,VIP+0):thank you very much! 11-15 17:15
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Originally posted by encke at 2009-11-14 00:33:

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