Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3110  |  »Ø¸´: 31

ÁËÁËÁËʨ×Ó

гæ (СÓÐÃûÆø)

phonopy¿ÉÒÔË㣬ÓÃVASP×ÔÇ¢ºóµÄ½á¹û£¬µ¼Èëphonopy¾Í¿ÉÒÔ£¬phonopyÓÐÁ½ÖÖËã·¨£¬Ò»ÖÖÊdz¬°û·¨ÁíÒ»ÖÖ¾ÍÊÇDFPT£¬Á½ÖÖ¼ÆËãʱ¼äǰÕ߽ϺóÕßÂý£¬µ«Êǽá¹ûºóÕß±ÈǰÕߺã¬ËùÒÔDFPT»¹ÊǺÜÓÐÓÅÊÆµÄËã·¨
Сľ³æ ľС³æ ³æÐ¡Ä¾
31Â¥2015-10-22 00:21:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

honoured

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
31Â¥: Originally posted by ÁËÁËÁËʨ×Ó at 2015-10-22 00:21:24
phonopy¿ÉÒÔË㣬ÓÃVASP×ÔÇ¢ºóµÄ½á¹û£¬µ¼Èëphonopy¾Í¿ÉÒÔ£¬phonopyÓÐÁ½ÖÖËã·¨£¬Ò»ÖÖÊdz¬°û·¨ÁíÒ»ÖÖ¾ÍÊÇDFPT£¬Á½ÖÖ¼ÆËãʱ¼äǰÕ߽ϺóÕßÂý£¬µ«Êǽá¹ûºóÕß±ÈǰÕߺã¬ËùÒÔDFPT»¹ÊǺÜÓÐÓÅÊÆµÄËã·¨

ÏëÎÊÒ»ÏÂÄú£¬DFPTÕâÖÖ·½·¨ÄúÓÐÏàÓ¦µÄÌû×Ó»òÕß²©ÎÄÂð£¬ÇóÍÆ¼ö£¬ÎÒÍøÉϲéÁ˺ö࣬²»ÖªµÀÄú˵µÄDFPT·½·¨Êǵ¥¶ÀʹÓû¹ÊÇÅäºÏʹÓã¨VASP+DFPT+phonopy£©,лл
°®ºÃÔ˶¯½¡Éí£¬Ï²»¶¶ÁÊ飬³ÁÃÔÓÚÈý½Ì¾ÅÁ÷£¬ÌÕ×íÓÚÒÕÊõ£¬ÖÂÁ¦ÓÚѧÊõÑо¿
32Â¥2017-07-12 09:17:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ jkÉäÊÖ×ù µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 269Çóµ÷¼Á +4 °¡°¡ÎÒÎÒ 2026-04-07 4/200 2026-04-08 11:12 by ÄæË®³Ë·ç
[¿¼ÑÐ] 274Çóµ÷¼Á +4 ɽ°¢Âû 2026-04-07 4/200 2026-04-08 09:49 by eyeliyang
[¿¼ÑÐ] ¼ÆËã»ú11408 287 Çóµ÷¼Á +3 LiLe5 2026-04-07 3/150 2026-04-07 23:15 by shanqishi
[¿¼ÑÐ] 331Çóµ÷¼Á +5 ÕÅÔªÒ» 2026-04-07 6/300 2026-04-07 22:13 by hemengdong
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-04 11/550 2026-04-06 13:56 by BruceLiu320
[¿¼ÑÐ] Çóµ÷¼Á +10 chenxrlkx 2026-04-05 10/500 2026-04-06 11:31 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +13 ŬÁ¦·Ü¶·112 2026-04-04 13/650 2026-04-06 07:13 by jj987
[¿¼ÑÐ] Çóµ÷¼Áµ½0856²ÄÁϹ¤³Ì +3 ³Ì9915 2026-04-05 3/150 2026-04-05 18:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸µç×ӿƼ¼´óѧ085600²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +10 Naiko 2026-04-04 10/500 2026-04-05 09:40 by sam3303
[¿¼ÑÐ] 26¿¼Ñе÷¼Á0710 0860 +9 ²¹²¹²»²¹ 2026-04-03 14/700 2026-04-04 23:32 by ¹û¶³´óÍõ
[¿¼ÑÐ] [µ÷¼ÁÐÅÏ¢]085408¹âµçÐÅÏ¢ Çóµ÷¼Á ×Ü·Ö291·ÖÊýÒ»Ó¢Ò» +3 iz11az 2026-04-02 3/150 2026-04-04 19:09 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬×Ü·Ö320Çóµ÷¼Á +7 À§À§À§À§À¤À¤ 2026-04-02 7/350 2026-04-03 17:26 by Yuena_Wang
[¿¼ÑÐ] 085501Ò»Ö¾Ô¸Ì칤´ó£¬»úеר˶Çóµ÷¼Á£¬¿ç²ÄÁÏ +3 33ÉÏ 2026-04-03 3/150 2026-04-03 14:08 by 1753564080
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358 +4 cs0106 2026-04-03 4/200 2026-04-03 13:41 by °ÙÁéͯ888
[¿¼ÑÐ] 071000ÉúÎïѧµ÷¼Á +8 ÖªÕÑÂû 2026-04-02 8/400 2026-04-03 10:36 by macy2011
[¿¼ÑÐ] 262Çóµ÷¼Á +6 ÀøÖ¾Ò»¶¨·¢ÎÄÕ 2026-04-02 7/350 2026-04-03 09:54 by linyelide
[¿¼ÑÐ] 366Çóµ÷¼ÁÒ»Ö¾Ô¸¶«±±´óѧ +8 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 8/400 2026-04-02 21:39 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸´ó¹¤Ñ§Ë¶£¬Çóµ÷¼Á +4 yub0811 2026-04-02 4/200 2026-04-02 21:36 by °ÙÁéͯ888
[¿¼ÑÐ] 08¹¤¿ÆÇóµ÷¼Á290·Ö +5 1314Åõ»¨ 2026-04-02 8/400 2026-04-02 13:16 by ÇÇßÕßÕßÕ
[¿¼ÑÐ] 286Çóµ÷¼Á +5 Sa67890. 2026-04-01 7/350 2026-04-01 19:50 by 6781022
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û