| ²é¿´: 1072 | »Ø¸´: 0 | |||
vasp_studyгæ (³õÈëÎÄ̳)
|
[½»Á÷]
ÔÚvaspµ¯ÐÔ³£Êý¼ÆËãÖУ¬NFREE=2ºÍNFREE=4ÓкÎÇø±ð£¿
|
|
ÇëÎʸ÷λÀÏʦ£¬vasp×öµ¯ÐÔ³£Êý¼ÆËãʱ£¬²ÎÊýNFREE=2ºÍNFREE=4ÓкÎÇø±ð£¿ÔÚÍøÉÏ¿´µ½ÈçϽâÊͲ»ÖªµÀÕýÈ·Óë·ñ NFREE=2£ºÔÚNFREE=2µÄÇé¿öÏ£¬Ö»ÓÐÁ½¸ö½á¹¹²ÎÊý¿ÉÒÔ×ÔÓɱ仯¡£Í¨³£Çé¿öÏ£¬Õâͨ³£ÊÇÖ¸¾§¸ñ³£ÊýµÄÁ½¸ö²ÎÊý£¬ÀýÈç¾§¸ñ³£ÊýaºÍc¡£ÕâÒâζ׿ÆË㽫±£³ÖÔ×ÓλÖò»±ä£¬Ö»ÔÊÐí¶Ô¾§¸ñ³£Êý½øÐÐÓÅ»¯¡£NFREE=2ÓÃÓÚ¶Ô¾§¸ñ³£Êý½øÐе¯ÐÔ³£Êý¼ÆËã¡£ NFREE=4£ºÔÚNFREE=4µÄÇé¿öÏ£¬Ëĸö½á¹¹²ÎÊý¿ÉÒÔ×ÔÓɱ仯¡£Í¨³££¬Õâ°üÀ¨Á½¸ö¾§¸ñ³£Êý£¨ÀýÈçaºÍc£©ÒÔ¼°Á½¸öÔ×Ó×ø±ê¡£ÕâÒâζ׿ÆË㽫ÔÊÐí¾§¸ñ³£ÊýºÍ²¿·ÖÔ×ÓλÖõÄÓÅ»¯¡£NFREE=4ͨ³£ÓÃÓÚ¸üÏêϸµÄµ¯ÐÔ³£Êý¼ÆË㣬ÒÔ°üÀ¨¸ü¶àµÄÔ×ÓλÖᣠ|
» ²ÂÄãϲ»¶
¶þ±½¼×ͪËáÀàÑÜÉúÎï
ÒѾÓÐ4È˻ظ´
Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð
ÒѾÓÐ11È˻ظ´
294Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
335Çóµ÷¼Á
ÒѾÓÐ23È˻ظ´
279Çóµ÷¼Á
ÒѾÓÐ13È˻ظ´
304Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
322Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
271Çóµ÷¼Á
ÒѾÓÐ39È˻ظ´
ÊÕµ½¸´ÊÔµ÷¼Áµ«ÊÇÈ¥²»ÁË
ÒѾÓÐ6È˻ظ´
ÓÐûÓнÓÊձȽϿìµÄsciÆÚ¿¯Ñ½£¬×îºÃÔÚÒ»¸öÔÂÖ®Äڵģ¬ÑÐÈýº¢×ÓÇó±ÏÒµ
ÒѾÓÐ5È˻ظ´













»Ø¸´´ËÂ¥
20