Ôõô¼ÆËã²ÄÁϵĹâÎüÊÕ°¡
¶Ô×ÅICSD×öÁ˸öÎø»¯ÒøµÄ¾§°û£¬È»ºó×öÁË3x3x3µÄ³¬°ü£¬ÓÃDoml3ÓÅ»¯¹ý¼¸ºÎÁË£¬ÔÙÓÃcastep¼ÆËã·ÖÎöʱѡµÄOptical properties£¬ÏÂÃæFunctionÑ¡µÄAbsorption£¬½á¹û¸ø³öµÄ½á¹û¾ÓÈ»ÊǸ´Êý£¬ÓÐʵ²¿ÓÐÐ鲿£¬¸ú·Ö¹â¹â¶È¼Æ¸øµÄ²»Ò»Ñù°¡£¬Ôõô¸ã£¿
·µ»ØСľ³æ²é¿´¸ü¶à
½ñÈÕÈÈÌû
CASTEP absorption ×÷ˆD‘ªÊÇÖ»ÓÐŒ?”µ¡£Õˆ²éÓЛ]°´åeâo¡£
£¬
´óÉñÎÊÒ»¾ä£¬ICSDÊý¾Ý¿âÓÐÂ𣬻¹Êǵð²×°Õâ¸öÈí¼þ°¡