Ìû×Ó

ÌÔÌû˵Ã÷

ͨ¹ýʵÓ÷½±ãµÄ¡°ÌÔÌû¡±¹¦ÄÜ£¬Äú¿ÉÒÔ°´ÕÕ×Ô¼ºµÄÒâÔ¸£¬°ÑÂÛ̳ÀïÃæµÄ¾«²ÊºÃÌû×Ó·ÖÃűðÀàµÄ½øÐлã×ܺÍÊղأ¬¸ü·½±ã×Ô¼ºÒÔºóµÄä¯ÀÀ£»
ÄúÒ²¿ÉÒÔͨ¹ýä¯ÀÀÆäËûÈË´´½¨µÄÌÔÌûר¼­£¬·¢ÏÖÂÛ̳¸ü¶àÓмÛÖµµÄÄÚÈÝ£»
ÄúµÄÌÔÌûר¼­£¬±»ËûÈ˶©ÔÄÒ»´Î£¬½«µÃµ½1¸ö½ð±Ò½±Àø£¬×î¸ß¿ÉÒÔ»ñµÃ500¸ö½ð±ÒŶ

ר¼­ËµÃ÷

±¾×¨¼­ÒѾ­»ñµÃ 13 ¸ö½ð±Ò½±Àø£¬¸Ðл´´½¨Õß fyuewen µÄÐÁÇÚÕûÀí¹¤×÷
´´½¨ÈË:fyuewen (¸øÎÒ·¢ÏûÏ¢  |  ËÍTAСºì»¨)
´´½¨ÓÚ: 2012-07-19 £¬ÒѾ­ÊÕ¼Ö÷Ìâ 38 ¸ö£¬ÓÐ 13 È˶©ÔÄ
À´×Ô ±êÌâ ×÷Õß »Ø/¿´ ×îºó·¢±í
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú¡¿10½ð±Ò VASPÖÐÈçºÎ½¨Á¢¾ßÓв»Í¬Ô­×ÓÕ¼ÓÐÂʵÄPOSCAR longmei_cn 2009-05-07 7/350 2009-05-08 08:06:15 by veryman
µÚÒ»ÐÔÔ­Àí ¡¾ÒÑÍê½á¡¿ÈçºÎ¼ÆËãmacroscopic average
macroscopic average potential£¨charge)
huangll99 2012-05-13 15/750 2016-05-30 11:48:54 by luomin_zyj
µÚÒ»ÐÔÔ­Àí ØÍÊÆ¿â£ºGBRV pseudopotential site (+12) valenhou001 2013-08-08 16/800 2019-09-12 13:34:56 by ilovekiv
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú¡¿dipole correction 1È˲ÎÓë
dipole correction
B.C.Wang 2010-06-06 1/50 2010-06-07 11:08:37 by valenhou001
µÚÒ»ÐÔÔ­Àí ÓÃPBE0µÃµ½µÄ¶þÑõ»¯îÑ´øÏ¶¹ý´ó¡­¡­    ( 1 2 ) 1È˲ÎÓë souledge 2013-06-29 10/500 2015-01-08 13:05:46 by ²èζ¹û¶³
µÚÒ»ÐÔÔ­Àí pwscfÔËËã¹ý³ÌÖÐÓöµ½µÄCRASH£¬Çó½â¾ö ÆïÓ¢±¼ÌÚ 2013-03-13 9/450 2013-03-15 10:30:42 by gemucai
¹¦ÄܲÄÁÏ ¡¾×ÊÔ´¡¿Çë½Ì¸öÎÊÌâ------ʲôÊǰëо̬£¿ÓÐʲôÎïÀíÒâÒ壿 xiaoming2885 2009-07-15 4/200 2009-07-15 20:49:33 by Áù198
µÚÒ»ÐÔÔ­Àí Çë½ÌÈçºÎ´ÓPDOSµÃµ½DOS£¿ cj4566 2012-10-24 4/200 2012-10-24 13:26:22 by cj4566
µÚÒ»ÐÔÔ­Àí ÇóÎÙµÄØÍʽÎļþ¡£¡£¡£ qyfzzi 2012-11-10 1/50 2012-11-10 17:54:19 by souledge
µÚÒ»ÐÔÔ­Àí ÐÂÊÖÇó½ÌpwËãÉù×Ó×VÌáʾȱÉÙ.dyn1Îļþ xhzha 2012-02-15 9/450 2012-02-21 09:44:59 by xhzha
µÚÒ»ÐÔÔ­Àí ÐÂÊÖµÄÀ§»ó fengzxm 2011-06-24 4/200 2011-06-29 09:19:20 by fengzxm
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú³É¹¦¡¿Éù×ÓÄÜ´øºÍÉù×ӯ׵ÄÁªÏµ    ( 1 2 ) 12È˲ÎÓë qiqi2926 2010-07-05 16/800 2013-04-01 11:49:40 by Ëæ±ã×¢²á
µÚÒ»ÐÔÔ­Àí ¹ØÓÚ̬ÃܶȵÄÎÊÌ⣿£¿£¿    ( 1 2 ) 444239852 2011-05-22 13/650 2011-05-25 16:30:00 by 444239852
µÚÒ»ÐÔÔ­Àí pwscf4.3.2»­ÄÜ´øÍ¼    ( 1 2 ) lbbz323 2011-11-02 14/700 2014-03-30 14:47:05 by firefly91
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú¡¿ÇóÏêϸµÄPWscf²¢ÐбàÒë¹ý³Ì£¨Ô½ÏêϸԽºÃ£¬°üÀ¨¸÷ÖÖ»·¾³ºÍ²ÎÊýµÄÉèÖ㬼°Èí¼þµ ůÇï 2010-12-04 29/1450 2014-11-09 14:48:48 by ¿¨¿ª·¢·¢
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú¡¿pwscf¼ÆËãµÃµ½µÄÄÜ´øÍ¼ºÜÂÒ sg18408926 2011-01-15 16/800 2011-12-12 16:24:43 by gemucai
µÚÒ»ÐÔÔ­Àí ÈçºÎÈÃPwscfÕÒ³öÈ«²¿¶Ô³ÆÐÔ pariah 2012-05-22 9/450 2013-07-27 14:57:38 by gswylq
µÚÒ»ÐÔÔ­Àí ½¨Ä£ ÃæÐÄÕý½»¾§¸ñ ÌåÐÄËÄ·½¾§¸ñ hanyanli0475 2012-01-06 6/300 2012-11-27 06:54:18 by ·ÉÑïhunter
µÚÒ»ÐÔÔ­Àí ÇóAuÔ­×ÓÄ£ÊØºãØÍÊÆ (EPI+-1) newton3915 2012-06-23 8/400 2012-06-27 08:57:26 by longchzh120
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú¡¿ÎÞÐò¹ÌÈÜÌ彨ģ¼°ÓÅ»¯ÎÊÌâ    ( 1 2 ) 9 iamkz 2009-11-01 12/600 2009-11-07 08:53:04 by linggang87
µÚÒ»ÐÔÔ­Àí ¡¾ÇóÖú¡¿¹ØÓÚPWSCF½¨Ä£µÄ¼¸¸öÎÊÌâ 4È˲ÎÓë identation 2010-04-06 5/250 2010-04-06 22:34:04 by goldenfisher
µÚÒ»ÐÔÔ­Àí PWscf ÔËÐм°ÊäÈëÎļþµÄд·¨¡£ (½ð±Ò+1) tongji888 2011-07-03 3/150 2011-07-04 16:00:55 by tongji888
µÚÒ»ÐÔÔ­Àí ÓÃpwscf¼ÆËã﮵ÄÉù×ÓɫɢÆ×    ( 1 2 ) ãåÔ¡³¿¹â_7Ô 2012-08-11 11/550 2012-11-19 17:50:54 by fyuewen
µÚÒ»ÐÔÔ­Àí ÈçºÎ²úÉúSrµÄ×ÔÐý-¹ìµÀñîºÏµÄPBEØÍÊÆ    ( 1 2 ) ѧԱCkImlJ 2011-05-25 12/600 2012-08-05 16:12:46 by fyuewen
µÚÒ»ÐÔÔ­Àí [¹ØÌù]PWscf semicore ØÍʽÉú³É´íÎó minmin_0082003 2011-06-20 7/350 2011-06-23 10:05:18 by souledge

ÇëÆÀ¼Û´Ëר¼­£¬¸ÐлÕûÀíÕßµÄÐÁ¿à¹¤×÷:)

ÆÀ¼Ûר¼­£º Ö»ÁôÑÔ ºÜÓаïÖú(´´½¨Õß½ð±Ò+1)
ÍÆ¼öÖ÷Ìâµ½´Ëר¼­