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[MS] [ÒÑÍê½á]µçºÉÃܶÈͼ µÈ¸ßÏß²»¶Ô³Æ    ( 1 2 ) (13/2963) nwpu2010 2011-11-09 2014-03-22 07:43:42 by clown9111014
[ÆäËû] [ÒÑÍê½á]mulliken µçºÉ·ÖÎöÇóÖú (0/1093) liutaifeng 2014-03-21 2014-03-21 19:16:38 by liutaifeng
[ÆäËû] [ÒÑÍê½á]ÇóÖúbeta-Ni(OH)2µÄÓÐЧµç×ÓÖÊÁ¿ºÍÓÐЧ¿ÕѨÖÊÁ¿ (0/308) wrt8089503 2014-03-18 2014-03-21 17:31:16 by wrt8089503
[Vasp&Me ] [ÒÑÍê½á]VASP 5 lib±àÒë³ö´í ÇóÖú (0/382) 201306028 2014-03-16 2014-03-21 17:16:57 by 201306028
[MS] [ÒÑÍê½á]Çó×îаæICSD£¨¼±£© (0/443) zzmjnwx13 2014-03-21 2014-03-21 16:11:15 by zzmjnwx13
[MS] [ÒÑÍê½á]¹ØÓÚCASTEPÄ£°å¼ÆËãµÄÎÊÌâ (2/659) 444239852 2012-09-11 2014-03-21 13:49:14 by Tonisam
[Vasp&Me ] [ÒÑÍê½á]vasp¼ÆËãÄÜ´ø³ö´í£¬ËãÁËÒ»»á¼ÆËã¾ÍÍ£Ö¹ÁË£¬ÇóÖú°¡£¬µÚÒ»´Î·¢ÌûËùÓнð±Ò¶¼¹±Ï׳öÀ´ÁË (4/1281) ³ÂöÎ 2013-12-03 2014-03-21 11:56:41 by Íõ¿­0370
[Vasp&Me ] [ÒÑÍê½á]Çë½ÌDFT+UµÄÒ»¸öÏà¹Ø»°Ìâ (5/1196) Íõ¿­0370 2014-03-20 2014-03-21 10:01:05 by emilyoyang
[MS] [ÒÑÍê½á]ËÑË÷Öмä̬ (5/676) ·Æ¶¥¶¥ 2014-03-17 2014-03-21 09:56:28 by chzh1987
[Vasp&Me ] [ÒÑÍê½á]ÇóÖú£¬¼ÆËãȱÏÝÐγÉÄÜʱaverage potential Ôõô¶ÔÆë£¬ÔõôËãÄØ£¿ (0/858) 984f6d98 2014-03-21 2014-03-21 09:15:38 by 984f6d98
[MS] [ÒÑÍê½á]´ÓICSDµ¼ÈëCIFÎļþ½øÈëMSºóÔõô»áÉÙÁËÒ»ÖÖÔªËØ£¿ (9/2817) wenzhiqin 2012-02-27 2014-03-21 06:16:44 by wenzhiqin
[Vasp&Me ] [ÒÑÍê½á]ÐÂÊÖvasp°²×°ÇóÖú    ( 1 2 ) (11/3014) lzlgcdc 2012-10-22 2014-03-21 05:57:33 by bashan
[MS] [ÒÑÍê½á]ÓÃMS ËãÎïÖÊij¸öÃæ¶ÔÓÚÀë×ÓµÄÎü¸½ÄÜ£¬¹ØÓÚÌí¼ÓÀë×ÓµÄÇóÖú£¡£¡ (0/411) c_ôà 2014-03-20 2014-03-20 19:44:34 by c_ôà
[QE(Pwsc ] [ÒÑÍê½á]QE PWscf pw-gpu ¼ÆËãËÙ¶È ÖÕÖ¹Ìõ¼þ ÊÕÁ²ËÙ¶È (0/766) xueshichuan 2014-03-20 2014-03-20 18:48:01 by xueshichuan
[Vasp&Me ] [ÒÑÍê½á]´óËÄÐÂÈËÇó½Ì¡£¡£¡£sno2²ôÔÓÁ½¸öNÔ­×ÓÔõôȷ¶¨²ôÔÓλÖã¿ (3/816) a3522121 2014-03-05 2014-03-20 18:17:25 by stractor
[ÆäËû] [ÒÑÍê½á]Dftb+¼ÆËãÓйØÎÊÌâ (0/531) jiangge122 2014-03-20 2014-03-20 14:39:29 by jiangge122
[MS] [ÒÑÍê½á]DFT+U ÈçºÎѡȡÏà¹ØÎÄÏ×ÖÐÄ³Ò»ÔªËØµÄUÖµ£¬À´ÓÃÓÚ×Ô¼ºµÄÌåϵ ¡£ ÓкÎѡȡ±ê×¼ (0/702) yangyangwlhx 2014-03-20 2014-03-20 12:10:14 by yangyangwlhx
[Vasp&Me ] [ÒÑÍê½á]¹ØÓÚÄÉÃ׹ܲÄÁϵļÆËã (1/533) busstop 2014-03-19 2014-03-20 10:44:18 by lingch1990
[Vasp&Me ] [ÒÑÍê½á]ËãÄÜ̬ÃܶÈÊdzöÏÖµÄÎÊÌâ (1/927) ÈËÈËÓàyan 2014-03-20 2014-03-20 10:33:21 by ÈËÈËÓàyan
[MS] [ÒÑÍê½á]µÎŨ¶È²ôÔÓʱ£¬³¬°ûÖ±½Ó²ôÔÓÄÜ·ñºÍÐé¾§Ä£ÐͽáºÏʹÓã¿ (2/935) ä±¾£ 2014-03-03 2014-03-20 09:46:41 by ÃÔ;´óÊéͯ
[Vasp&Me ] [ÒÑÍê½á]VASP INCARÎļþµÄ¹Ø¼ü´ÊÒÉÎÊ (2/514) bianyuan2680 2014-03-19 2014-03-20 08:54:39 by bianyuan2680
[MS] [ÒÑÍê½á]Çó´óÉñ½â¾öMS½¨Ä£·ÖÊýÕ¼¾ÝµÄÎÊÌâ (1/1058) phystary 2013-12-14 2014-03-20 06:49:25 by ÃÔ;´óÊéͯ
[Vasp&Me ] [ÒÑÍê½á]VASPÖ±½Ó¼ÆË㵯ÐÔ³£Êý³ö´í (6/1834) janet2012222 2013-06-27 2014-03-20 06:26:19 by JJ20
[ÆäËû] [ÒÑÍê½á]ÊÇÏà¹Ø½Å±¾µÄÎÊÌâ (0/255) yanrong_88 2014-03-19 2014-03-19 21:20:08 by yanrong_88
[ÆäËû] [ÒÑÍê½á]OpenmxÖÐGrapheneµÄÓÅ»¯ÎÊÌ⣡ (3/1467) wdaobin 2014-03-16 2014-03-19 21:12:31 by wdaobin
[MS] [ÒÑÍê½á]´ó¼Ò°ï濴һϠÄÜ´øÍ¼ÎªÈöÖ»ÓÐ×ÔÐýÏòÏ ûÓÐ×ÔÐýÏòÉÏ ÊDz»ÊÇËã´íÁË (7/2568) yangyangwlhx 2014-03-19 2014-03-19 20:56:50 by yangyangwlhx
[ÈȵãÇ°ÑØ ] [ÒÑÍê½á]¾ÖÓò̬ºÍÎÞÐòµÄÇø±ð (0/399) sarahzyp 2014-03-19 2014-03-19 20:29:50 by sarahzyp
[Vasp&Me ] [ÒÑÍê½á]ÓÐûÓÐÈË»­¹ýÄÜ´ø°¡£¿ÎÒÖ´ÐÐ./pbnd.x³öÏÖ Segmentation fault£¨·Ö¶Î´íÎó£© (3/1654) ̤ÐÐÕß 2014-03-18 2014-03-19 20:03:39 by lfhuang
[Vasp&Me ] [ÒÑÍê½á]ÕâÕæÊÇÌ«Ææ¹ÖÁË£¬°Ñ³¬Ï̹߳ØÁËÔõô¾Í³öÏÖÕâÖÖÎÊÌâÁË¡­¡­ (0/975) ǰÌïÇì´Î 2014-03-19 2014-03-19 19:23:18 by ǰÌïÇì´Î
[MS] [ÒÑÍê½á]ÓÃCASTEPÈçºÎÔÚÖªµÀUÖµµÄÇé¿öÏ£¬¼ÆËãÌåϵµÄ¾§°û²ÎÊý¡£ (0/583) yangyangwlhx 2014-03-19 2014-03-19 17:19:13 by yangyangwlhx
[MS] [ÒÑÍê½á]½çÃæÄ£ÄâÂÁ»ù¸´ºÏ²ÄÁÏ (2/279) lx123ppp 2014-03-18 2014-03-19 15:17:00 by lx123ppp
[ÆäËû] [ÒÑÍê½á]Al²ôÔÓZnOÖÐAlµÄ²ôÔÓÐγÉÄÜ (3/1493) 99¿ËÀ­×êʯ 2014-03-17 2014-03-19 14:48:12 by 99¿ËÀ­×êʯ
[Vasp&Me ] [ÒÑÍê½á]VASP¼ÆËãÁù·½BNµÄȱÏÝʱʱ½øÐÐż¼«ÐÞÕý£¬ ¼´dipole correctionsµÄÎÊÌâ (8/3226) wangjiang12 2014-03-11 2014-03-19 13:27:21 by jiangge122
[MS] [ÒÑÍê½á]castep½Å±¾Ìá½»ÈÎÎñʱ£¬Ã»¼ÆËã¾ÍÍê³ÉÁË£¬Ò²Ã»Óз´À¡Îļþ (3/1079) ÕÔ´Ïâù 2014-03-18 2014-03-19 11:34:49 by ÕÔ´Ïâù
[Abinit] [ÒÑÍê½á][¹ØÌù]abinit¼ÆËãÈÈÅòÕÍϵÊý£¬ÇóÖú´óÉñ£¡£¡£¡ (0/493) zbo007 2014-03-19 2014-03-19 09:31:23 by zbo007
[MS] [ÒÑÍê½á]ÇóÖúNiAºÍl Ni3Al¿Õ¼äȺ£¬¾§¸ñ²ÎÊý£¬¾§ÌåÄÚ×ø±ê£¬Çë´Í½Ì£¬¸Ð¼¤²»¾¡£¡£¡£¡±È½Ï¼±£¡£¡£¡ (2/1600) yifanxiaoyu 2014-03-13 2014-03-19 09:18:55 by yifanxiaoyu
[MS] [ÒÑÍê½á]¹ØÓÚDMolµÄTS confirmation (2/1695) wulingnan 2013-12-04 2014-03-19 09:15:00 by a94259425
[MS] [ÒÑÍê½á]ÄÜ´ø½á¹¹ºÍ̬ÃÜ¶È Ò»Ð©ÎÊÌâ Çó½Ì (2/1550) yangyangwlhx 2014-03-18 2014-03-19 09:05:40 by yangyangwlhx
[MS] [ÒÑÍê½á]¼ÆË㵯ÐÔ³£ÊýʱµÄÎÊÌâ (1/489) haitian123 2012-12-18 2014-03-19 06:46:13 by yifanxiaoyu
[MS] [ÒÑÍê½á]castep¼ÆËãÍêÄÜ´øÖ®ºóÈçºÎÌôÑ¡ÓÐÓõÄÊý¾Ý»­³öÇåÎúµÄÄÜ´øÍ¼    ( 1 2 ) (16/5302) wuguohao111 2012-03-01 2014-03-19 06:16:19 by yangyangwlhx
[QE(Pwsc ] [ÒÑÍê½á]ÔËÐÐpw-gpu ½á¹ûºÃÏñ²»ÕýÈ· ¸öÈËÒ²²»»á¶ÁÊä³öÎļþ ²»Çå³þ¾ßÌ庬Òå Çë´óÉñÖ¸µã (0/750) xueshichuan 2014-03-18 2014-03-18 22:10:40 by xueshichuan
[QE(Pwsc ] [ÒÑÍê½á]QE ½á¹û³ÌÐòÕýÈ·ÐÔ¼ì²é (0/308) xueshichuan 2014-03-18 2014-03-18 19:10:43 by xueshichuan
[MS] [ÒÑÍê½á]MS Synthia Ä£¿é¼ÆËãproperties³ö´í£¡£¡ (2/421) Ò»¶þÈýÂð 2014-03-18 2014-03-18 16:39:11 by Ò»¶þÈýÂð
[MS] [ÒÑÍê½á]Castep¼ÆËãÄÜ´øÍ¼ÎÊÌâ    ( 1 2 ) (13/2229) zhangyajiu 2013-09-11 2014-03-18 14:37:59 by »¨Â¶ÊªÒÂ
[MS] [ÒÑÍê½á]CASTEPÔËÐб¨´í (4/2362) moirakaola 2014-03-09 2014-03-18 09:28:49 by moirakaola
[MS] [ÒÑÍê½á]ËãµçºÉÃܶȺ͵çºÉÃܶȲîÓÐʲô×÷Ó𡣿 (5/1944) jingjing1023 2014-03-14 2014-03-17 22:55:21 by lq6865387
[Vasp&Me ] formation enthlpy 8 (1/630) chengcai@ 2014-03-17 2014-03-17 20:25:02 by gclai
[ÆäËû] [ÒÑÍê½á]¹ØÓÚÃܶȷºº¯Öеĵ¥Á£×Ó·½³Ì    ( 1 2 ) (12/2449) holisky 2014-03-15 2014-03-17 19:37:51 by ¿¨¿ª·¢·¢
[Vasp&Me ] [ÒÑÍê½á]vasp ±àÒë³ö´í £¨ÇóÖú£© (9/2817) gjh123 2011-08-24 2014-03-17 19:29:56 by ¸çÊÇ´«Ëµ
[MS] [ÒÑÍê½á]´ËͼÈç´ËÖ®ÃÀ    ( 1 2 ) (17/1328) Òæ´ïľÌÇ´¼ 2014-03-09 2014-03-17 19:08:09 by Òæ´ïľÌÇ´¼
[Vasp&Me ] [ÒÑÍê½á]vasp 5.3²¢ÐбàÒë³ö´í (0/678) ¸çÊÇ´«Ëµ 2014-03-17 2014-03-17 18:34:03 by ¸çÊÇ´«Ëµ
[MS] [ÒÑÍê½á]castepÓÅ»¯¾§¸ñµÃµ½µÄ½á¹ûÓëÎÄÏ×ÖÐÏà²îºÜ´ó    ( 1 2 ) (18/2111) ·Æ¶¥¶¥ 2012-09-10 2014-03-17 18:06:43 by ·Æ¶¥¶¥
[MS] [ÒÑÍê½á]Çë½Ì¸÷λ¸ßÈËÈçºÎÓÃcastepÈí¼þËãÎüÊկף¬¹âÖ·¢¹âÆ×µÈ (0/518) shixiuyang 2014-03-17 2014-03-17 16:44:14 by shixiuyang
[Vasp&Me ] [ÒÑÍê½á]VASP¼ÆËã¹²éîϵͳÓÃʲô·½·¨ºÃ (0/307) wangjiang12 2014-03-17 2014-03-17 16:36:30 by wangjiang12
[Vasp&Me ] [ÒÑÍê½á]×ÔÐýÎÊÌâ (2/476) 490105179 2014-03-17 2014-03-17 15:43:28 by 490105179
[Vasp&Me ] [ÒÑÍê½á]VASPÌá½»µÄ×÷ҵûËãÍ꣬³öÏÖ´íÎó (1/1039) datouwa 2013-06-04 2014-03-17 12:58:41 by ·ëÑǾê
[ÆäËû] [ÒÑÍê½á]VASP½á¹¹ÓÅ»¯ÎÊÌâ (2/816) ÕÅÓÀ³¬1314 2014-03-15 2014-03-17 09:23:06 by ÕÅÓÀ³¬1314
[MS] [ÒÑÍê½á]µç×ÓԾǨÓëµç×Ó×ÔÐýÖ®¼ä´æÔÚ¹ØÏµÂ𣿠(6/1804) lzn_t 2013-08-24 2014-03-17 07:36:03 by ÐÄÄþ
[QE(Pwsc ] [ÒÑÍê½á]si.anh_GÕâ¸öÊä³öÎļþÊä³öµÄÊÇÊ²Ã´ÄØ (0/309) ²ÓÀõÄÐÒ¸£ 2014-03-16 2014-03-16 12:19:50 by ²ÓÀõÄÐÒ¸£
[MS] [ÒÑÍê½á]¼ÆËã±íÃæÄ£Ð͵ÄÄÜ´ø½á¹¹ºÍ̬ÃܶÈʱ£¬±íÃæÄ£ÐÍÖÐ×÷ΪÌåÏàµÄÄǼ¸²ãÒª²»Òª¹Ì¶¨×¡ лл (2/654) yangyangwlhx 2014-03-13 2014-03-16 10:46:28 by yangyangwlhx
[Vasp&Me ] [ÒÑÍê½á]Áù·½¾§ÏµÔ­°û¾§°ûÌå»ý±È (3/1787) lzlgcdc 2014-03-15 2014-03-16 09:52:25 by lzlgcdc
[MS] [ÒÑÍê½á]ѰÕÒºÏ×÷ÈËÀë¹ú¼ÒÄÉÃ׿ÆÑ§ÖÐÐıȽϽüµÄµ¥Î» (5/793) ghostkun123 2013-12-17 2014-03-16 09:20:30 by ghostkun123
[MS] [ÒÑÍê½á]MS¼ÆËãHessianAtomsµÄpartial Hessian³öÏÖµÄÐ鯵¸öÊý¼°Ïû³ýÎÊÌâ (0/1083) a94259425 2014-03-15 2014-03-15 21:43:57 by a94259425
[Vasp&Me ] [ÒÑÍê½á]NEBÔËÐкóµÄ½á¹û (4/1159) anewtry 2014-02-27 2014-03-15 18:27:03 by Íõ¿­0370
[Vasp&Me ] [ÒÑÍê½á]¶þÑõ»¯ÎýΪʲô¼üÄܸ߷´¶øÈÛµãµÍÄØ£¿ (3/1134) golddoushi 2014-03-13 2014-03-14 23:31:24 by golddoushi
[MS] [ÒÑÍê½á]¼±£¡¼±£¡¼±£¡ (0/274) ÉÐÒÁÐÄ 2014-03-14 2014-03-14 20:43:28 by ÉÐÒÁÐÄ
[Vasp&Me ] [ÒÑÍê½á]vasp ÔÚ¼ÆËãband structureµÄʱºò£¬KPOINTS ÎļþµÄд·¨ (0/1426) abdoman 2014-03-14 2014-03-14 17:59:37 by abdoman
[Vasp&Me ] [ÒÑÍê½á]¼±£¡¼±£¡¼±£¡ (0/219) ÉÐÒÁÐÄ 2014-03-14 2014-03-14 16:19:38 by ÉÐÒÁÐÄ
[Vasp&Me ] [ÒÑÍê½á]DOS»ý·Ö¶Ô²»Éϵç×ÓÊý (2/942) nownok 2014-03-13 2014-03-14 10:13:06 by nownok
[ÆäËû] [ÒÑÍê½á]¹ØÓÚ¼ä½Ó´øÏ¶°ëµ¼ÌåµÄµÚÒ»¼¤·¢Ì¬µÄ×é³É (5/1961) liusm-jlu 2014-03-12 2014-03-14 09:52:49 by liqizuiyang
[Vasp&Me ] [ÒÑÍê½á]¼±£¡£¡ÇóÖú£¬vasp¼ÆËãÖÐ spin up/spin down µçºÉÃܶÈͼÔõô»­    ( 1 2 ) (11/5633) goodredfly 2012-02-20 2014-03-14 07:28:47 by ÁõСΰ110
[Vasp&Me ] [ÒÑÍê½á]ÇëÎʣθöÔ­×ÓÓжàÉÙÖÖºìÍâÕñ¶¯£¿£³£Î¸ö»¹ÊÇ£³£Î£­£¶¸ö£¿ (6/2488) 490105179 2014-03-10 2014-03-13 22:49:44 by stractor
[Vasp&Me ] [ÒÑÍê½á]ÈçºÎÔö¼Óvasp¼ÆËã½éµçº¯ÊýµÄȡֵÃÜ¶È (6/1613) wuli8 2013-01-19 2014-03-13 22:18:16 by wuli8
[MS] [ÒÑÍê½á]ÈçºÎÔÚMSÖбê³ö²»Í¬µÄ±íÃæ (2/410) ÁéÒìÁú 2014-03-13 2014-03-13 22:00:34 by ÁéÒìÁú
[MS] [ÒÑÍê½á]ÇóÖú¸ß¾ÛÎïÖÐÌí¼Ó½ðÊôÑõ»¯ÎïµÄÄ£Ðͽ¨Ôì·½·¨£¡ (0/358) ¼Ò²Æ 2014-03-13 2014-03-13 20:31:43 by ¼Ò²Æ
[MS] [ÒÑÍê½á]ÎÒ¼ÆËãµÄÎü¸½½á¹ûÊÇ·ñ¿ÉÒÔ˵Ã÷£¬ÎÒ·¢ÏÖÁËд󽣿£¿    ( 1 2 ) (10/1584) purplesdd 2014-03-11 2014-03-13 18:30:15 by purplesdd
[Abinit] [ÒÑÍê½á]Õˆ†–Ó‹ËãÖмÓÈëvan der waal's force (0/382) mouwat 2014-03-13 2014-03-13 17:09:37 by mouwat
[Abinit] [ÒÑÍê½á]¼±Çó´óÉñ°ïæ½â¾öabinitÔËÐÐÎÊÌ⣿£¿£¿ (0/304) meiwei1988 2014-03-13 2014-03-13 16:36:15 by meiwei1988
[MS] [ÒÑÍê½á]ÇëÎÊMS¿ÉÒÔ¼ÆËãË®µÄÉù×ӯײ»£¿ (1/833) sword1224 2014-03-13 2014-03-13 15:51:27 by Òæ´ïľÌÇ´¼
[MS] [ÒÑÍê½á]Çó¾ÈÈçºÎÓÃMS½¨Á¢Graphene Oxide (0/225) pokai1894 2014-03-13 2014-03-13 13:47:39 by pokai1894
[Vasp&Me ] [ÒÑÍê½á]¼±¼±¼±£¡ÇóÖú¸÷λÇ׸çÇ×½ãVESTAÈçºÎ×ö±íÃæÎü¸½Ô­×ӵĵçºÉÃܶÈͼ£¿ (2/671) beibeipeipei 2014-03-12 2014-03-13 10:35:28 by beibeipeipei
[MS] [ÒÑÍê½á]ÄÜ´ø½á¹¹µÄ·ÖÎöÎÊÌâ (0/1175) haitian123 2014-03-13 2014-03-13 08:31:45 by haitian123
[Vasp&Me ] [ÒÑÍê½á]ÓÃslabÄ£ÐÍÑо¿·Ö×ÓÔÚ±íÃæµÄÎü¸½ºÍ·´Ó¦£¬Å¼¼«Ð£ÕýÓ°Ïì´óÂð£¿Ê²Ã´Çé¿öÏÂÐèÒª¿¼ÂÇÄØ£¿ (8/3115) wanghui381 2012-03-25 2014-03-13 07:40:37 by ÁõСΰ110
[Vasp&Me ] [ÒÑÍê½á]Çë½Ìvesta×÷µÄ²î·ÖµçºÉͼ (3/974) nownok 2014-03-12 2014-03-13 07:23:58 by nownok
[ÆäËû] [ÒÑÍê½á]2009FindI °²×°ºó´ò¿ªÖ±½ÓδÏìÓ¦ (8/1136) fengpx 2014-03-10 2014-03-12 22:33:44 by lanton
[Vasp&Me ] [ÒÑÍê½á]NEB¹ý¶É̬ÎÊÌ⣬ËÑË÷µÄ½á¹ûΪʲôºÍ²åÈë½á¹û²î¾àÕâô´ó£¿ (6/1341) cumtòåòå 2014-03-12 2014-03-12 21:55:49 by cenwanglai
[MS] [ÒÑÍê½á]¹ØÓÚUse symmetryµÄÎÊÌâ (0/1337) °×·¢Ä§Å® 2014-03-12 2014-03-12 19:44:15 by °×·¢Ä§Å®
[×ÊÔ´] [ÒÑÍê½á]¹ØÓÚµç³Á»ý²ãºñ¶ÈºÍµç¼«ÊÙÃüµÄ¹ØÏµ (0/453) dongabcde 2014-03-12 2014-03-12 19:15:29 by dongabcde
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