±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 35015  |  »Ø¸´: 955
¡¾½±Àø¡¿ ±¾Ìû±»ÆÀ¼Û254´Î£¬×÷ÕßdreampatternÔö¼Ó½ð±Ò 200.6 ¸ö
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

dreampattern

¹ÜÀíÔ±

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


[×ÊÔ´] first-principles¼ÆËã֮ǰ±£Ö¤¼ÆËã¿ÉÐŵıØÒª¹¤×÷

ÕâÊÇż¶û»ñµÃµÄÒ»¸öÍøÉÏ×ÊÔ´£¬²»¸Ò¶ÀÏí¡£ÏÖÔÚ×öµÚÒ»ÐÔÔ­ÀíµÄÌ«¶àÁË¡£
×÷Õß×îºóÒ»¾ä»°¾õµÃºÜÊǾ­µä£º
So far, this tool has high credibility. To maintain this high standard, the users ought to perform each individual project with utmost care. Please do all the necessary checks and
convergence tests.
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : Prerequisites_For_First-Principles_Methods.pdf
  • 2012-03-03 21:42:52, 1.69 M

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

﮵ç×ÊÔ´¹²Ïí ÄÉÃ×¼¼ÊõÓëÄÜÔ´¼°Ä£Äâ ×ÊÔ´ÊÕ¼¯ ·ÂÕæ½¨Ä£Óë¼ÆËã
µÚÒ»ÐÔÔ­Àí¼ÆËã×ÊÔ´×Ü»ã Ñо¿Éú×ÊÁϼ¯ µÚÒ»ÐÔÔ­Àí µÚÒ»Ô­Àí×ÊÁÏ»ã±à
VASP »¯Ñ§µçÔ´Ö®ï®Àë×Óµç³Ø µÚÒ»Ô­Àí×ÊÁÏÌù ×ÊÔ´
µÚÒ»ÐÔÔ­Àí¼ÆË㸨Öú¹¤¾ß Ñо¿·½Ïò¡ª¡ªµç¾µ ±í½çÃæ¼ÆËã VASP×ÊÁÏ
first principle Éú»îµÄÀÖȤ ·Ö×ÓÄ£Äâ µÚÒ»ÐÔÔ­Àí
castep Êé¼®ÊÕ²Ø @¸öÈËÊÕ¼¯@ ¼ÆËã×ÊÁÏ
¸ß˹ÈÕ³£Ñ§Ï°×ܽá ѧÊõ¹Ûµã ´Ì¿Í µÚÒ»Ô­Àí
Á¿»¯,µÚÒ»ÐÔ,MD±Ê¼Ç µÚÒ»ÐÔÔ­Àí»ù±¾ÀíÂÛ VASPÏà¹Ø Abinit Ïà¹Ø×ÊÁÏ
ÊÕ²Ø ¿ÆÑÐ µÚÒ»ÐÔ&ÄÉÃ×&code vasp¼ÆËãϸ½Ú
VASP VASP blabla µÚÒ»ÐÔÔ­Àí ̼ÄÉÃ×¹ÜÉù×Ó
¼¤¹âÆ÷Èí¼þÄ£Äâ ѧϰ 学习 צ»úµ³
ÀíÂÛ»¯Ñ§»ù±¾ÖªÊ¶ ·ÂÕæ ÊÖ»úÔÝ´æÌû ¿ªÊ¼ÐÂÉú»î
ÔÓÆßÔÓ°Ë

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jarc

°æÖ÷

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


40Â¥2012-03-04 21:26:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 956 ¸ö»Ø´ð

cheeka

¹ÜÀíÔ±

ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡ÓÅÐ㣡£¡ÓÐľÓУ¡£¡£¡


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¸Ðл·ÖÏí£¡£¡£¡£¡¾ø¶ÔµÄºÃ¶«Î÷£¡£¡
6Â¥2012-03-03 22:52:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
fzx20082Â¥
2012-03-03 21:45   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhxd10283Â¥
2012-03-03 22:18   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
gongxd3255Â¥
2012-03-03 22:52   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
0431140768Â¥
2012-03-03 23:21   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
awmc20089Â¥
2012-03-04 00:47   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ê·¶«ÁÖ10Â¥
2012-03-04 00:49   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Quan.11Â¥
2012-03-04 07:34   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
fliboy12Â¥
2012-03-04 08:08   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Y.-L.Guo13Â¥
2012-03-04 08:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
0602204514Â¥
2012-03-04 08:38   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[µç»¯Ñ§] 070300»¯Ñ§µ÷¼Á +7 ɽ¶¥¼û¦Á 2026-03-25 7/350 2026-03-31 22:21 by piaoyi415
[¿¼ÑÐ] µ÷¼ÁÍÆ¼ö +7 Ç徯714 2026-03-26 8/400 2026-03-31 22:12 by 544594351
[¿¼ÑÐ] °²»Õ´óѧר˶ÉúÎïÓëҽҩרҵ(086000)324·Ö£¬Ó¢ÓïÒѹýËÄÁù¼¶£¬Áù¼¶521£¬Çóµ÷¼Á +10 ÃÀζ¿ÉÀÖ¼¦³á 2026-03-26 11/550 2026-03-31 19:20 by syh9288
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö ²ÄÁÏ 304 +18 ºÉ°üµ°hyj 2026-03-26 18/900 2026-03-31 18:08 by 544594351
[¿¼ÑÐ] ±¾2Ò»Ö¾Ô¸C9-333·Ö£¬²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬Çóµ÷¼Á +9 ÉýÉý²»½µ 2026-03-31 9/450 2026-03-31 18:01 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 290·Öµ÷¼ÁÇóÖú +10 ¼ªÏéÖ¹Ö¹³Â 2026-03-25 10/500 2026-03-31 17:54 by 544594351
[¿¼ÑÐ] 254²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +3 º²¶¬ÁÖéª 2026-03-30 4/200 2026-03-31 17:53 by yishunmin
[¿¼ÑÐ] 08¿ªÍ·¿´¹ýÀ´£¡£¡£¡ +3 wwwwffffff 2026-03-31 5/250 2026-03-31 17:45 by Ðǹâ/
[¿¼ÑÐ] 085601Ó¢¶þÊý¶þÇóµ÷¼Á ×Ü·Ö325 +4 Óຽº½ 2026-03-31 4/200 2026-03-31 17:38 by ÌÆãå¶ù
[¿¼ÑÐ] 343Çóµ÷¼Á +8 °®î¿°í 2026-03-28 8/400 2026-03-31 16:12 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼ÁÒ»Ö¾Ô¸´óÁ¬º£ÊÂ085600£¬349 +6 ³ÔµÄ²»ÉÙ 2026-03-30 6/300 2026-03-31 04:17 by fmesaito
[¿¼ÑÐ] 295²ÄÁϹ¤³Ìר˶Çóµ÷¼Á +10 1428151015 2026-03-27 10/500 2026-03-30 19:00 by Ô´_2020
[¿¼ÑÐ] 297Çóµ÷¼Á +17 ÌïºéÓÐ 2026-03-26 18/900 2026-03-30 18:32 by nothingͶ¸åÖÐ
[¿¼ÑÐ] 085701Çóµ÷¼Á³õÊÔ286·Ö +5 secret0328 2026-03-28 5/250 2026-03-30 12:54 by fangnagu
[¿¼ÑÐ] 290Çóµ÷¼Á +3 dfffsar 2026-03-29 3/150 2026-03-29 22:38 by ëë밢Ī2
[¿¼ÑÐ] 070305¸ß·Ö×Ó»¯Ñ§ÓëÎïÀí 304·ÖÇóµ÷¼Á +12 c297914 2026-03-28 12/600 2026-03-29 16:21 by Serene1974
[¿¼ÑÐ] 279Çóµ÷¼Á +4 µûÎèÇáÈÆ 2026-03-29 4/200 2026-03-29 09:45 by laoshidan
[¿¼ÑÐ] 081200-314 +3 LILIQQ 2026-03-27 4/200 2026-03-28 09:41 by ±£»¤µØÇòÄãÎÒ×öÆ
[¿¼ÑÐ] 265Çóµ÷¼Á11408 +3 ÁõС¹lu 2026-03-27 3/150 2026-03-27 20:53 by nihaoar
[¿¼ÑÐ] 08¿ªÍ·275Çóµ÷¼Á +4 À­Ë­²»ÖØÒª 2026-03-26 4/200 2026-03-27 14:12 by Delta2012
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û