²é¿´: 2913  |  »Ø¸´: 11
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

С³æ³æLG

ľ³æ (ÕýʽдÊÖ)

[ÇóÖú] phonopyÔõô¿´eigenvector ÒÑÓÐ1È˲ÎÓë

ÎļþÀïÃæÐ´µÄ¸ñʽ¿´²»¶®£¬Çë¸ßÊÖÖ¸µã°¡
ÏÂÃæÊÇÎÒËãµÄNaCl£¬
ÿ¸öÔ­°ûÁ½¸öÔ­×Ó¡£ÏÂÃæatom1£¬2¸÷×ÔÈý¸öÖÐÀ¨ºÅµ½µ×Ôõô½â¶Á£¿atom1,2Ö®¼äʲô¹ØÏµÄØ£¿
nqpoint: 204   
npath: 4      
natom: 2      
reciprocal_lattice:
- [  -0.17618119,   0.17618119,   0.17618119 ] # a*
- [   0.17618119,  -0.17618119,   0.17618119 ] # b*
- [   0.17618119,   0.17618119,  -0.17618119 ] # c*
phonon:
- q-position: [    0.0000000,    0.0000000,    0.0000000 ]
  distance:    0.0000000
  band:
  - # 1
    frequency:   -0.0489099600
    eigenvector:
    - # atom 1
      - [ -0.00000000000000,  0.00000000000000 ]
      - [  0.61756401446499,  0.00000000000000 ]
      - [ -0.15123058551995,  0.00000000000000 ]
    - # atom 2
      - [  0.00000000000000,  0.00000000000000 ]
      - [  0.74969321650068,  0.00000000000000 ]
      - [ -0.18358670750911,  0.00000000000000 ]
  - # 2
    frequency:   -0.0489099600
    eigenvector:
¡­¡­¡­¡­¡­¡­¡­¡­¡­¡­¡­¡­
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hn19870519

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
7Â¥: Originally posted by С³æ³æLG at 2014-10-23 10:49:11
ÊÇÕâÑùµÄ£¬ÎÒΪÁ˼ÆËã¸ñÁÖ°¬É­²ÎÊý£¬ÐèÒª½«¾§¸ñ³£ÊýÔÚÆ½ºâλÖÃÊʵ±À©´ó»òÕßËõСÒԵõ½¸Ä±äÌå»ýÖ®ºóµÄÉù×ӯס£½á¹û·¢ÏÖËõС¾§¸ñ³£Êý£¨ÊÇÔ­À´µÄ0.98±¶£©Ö®ºóGammaµã³öÏÖÁËÐ鯵£¬Æ½ºâλÖÃûÓÐÐ鯵¡£À©°ûÊÇ441£¬encut¶¼ ...

ÄÇÊDz»ÊDZ¾Éí¾Í»áÓÐÐ鯵Ĩ¡£
8Â¥2014-10-23 14:34:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 12 ¸ö»Ø´ð

hn19870519

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
С³æ³æLG: ½ð±Ò+30, ¡ï¡ï¡ïºÜÓаïÖú, ·Ç³£¸Ðл£¡ 2014-10-21 13:57:08
atom1 atom2¾ÍÊÇÄã×ʼµÄPOSCAR£¨Ã»ÓÐÀ©°ü£©ÖеÄatom1 atom2
eigenvector:
    - # atom 1
      - [ -0.00000000000000,  0.00000000000000 ]
      - [  0.61756401446499,  0.00000000000000 ]
      - [ -0.15123058551995,  0.00000000000000 ]
Èý¸öÀ¨ºÅ·Ö±ð´ú±íÈý¸ö·½ÏòµÄÔ­×ÓÎ»ÒÆ¡£ÎÒÇë½ÌÁ˱ðÈË£¬Ëû¸æËßÎÒ˵×ó±ßÊÇʵ²¿£¬ÓÒ±ßÊÇÐ鲿¡£ÓÃʵ²¿µÄÊý¾Ý¾Í¿ÉÒÔ¡£Èç¹ûÒª¸ø³õʼPOSCARÔ­×Ó¼ÓÎ»ÒÆ£¬×îºÃ³ËÒÔÒ»¸öϵÊý£¬±ÈÈç0.01£¬¾ßÌåÒª²âÊÔ¡£
2Â¥2014-10-21 13:19:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

С³æ³æLG

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by hn19870519 at 2014-10-21 13:19:21
atom1 atom2¾ÍÊÇÄã×ʼµÄPOSCAR£¨Ã»ÓÐÀ©°ü£©ÖеÄatom1 atom2
eigenvector:
    - # atom 1
      -
      -
      -
Èý¸öÀ¨ºÅ·Ö±ð´ú±íÈý¸ö·½ÏòµÄÔ­×ÓÎ»ÒÆ¡£ÎÒÇë½ÌÁ˱ðÈË£¬Ëû¸æËßÎÒ˵×ó±ßÊÇʵ²¿£¬ÓÒ±ßÊÇÐé ...

·Ç³£¸ÐлÄãµÄ»Ø¸´£¡ÎÒ»¹ÓÐÒÉÎÊÏëÇë½ÌÄãһϣ¬ÄǾÍÊÇÈçºÎͨ¹ýeigenvectorÅжÏÄÄЩÉù×ÓÊôÓÚͬһƵ֧£¿»òÕß˵£¬Ä³¸öqµãµÄij¸öƵÂÊ£¬ÊôÓںᲨ»òÕß×ݲ¨£¿
3Â¥2014-10-21 14:05:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hn19870519

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by С³æ³æLG at 2014-10-21 14:05:47
·Ç³£¸ÐлÄãµÄ»Ø¸´£¡ÎÒ»¹ÓÐÒÉÎÊÏëÇë½ÌÄãһϣ¬ÄǾÍÊÇÈçºÎͨ¹ýeigenvectorÅжÏÄÄЩÉù×ÓÊôÓÚͬһƵ֧£¿»òÕß˵£¬Ä³¸öqµãµÄij¸öƵÂÊ£¬ÊôÓںᲨ»òÕß×ݲ¨£¿...

²»ºÃÒâ˼¡£ÎÒÒ²ÊDzſªÊ¼½Ó´¥¡£
4Â¥2014-10-21 19:42:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] 2026¹ú×ÔÈ»º¯ÆÀ·Ñµ½ÕË +19 ÑòÑü°å 2026-08-21 22/1100 2026-08-25 10:38 by popular289
[½Ìʦ֮¼Ò] µ¼Ê¦Í²ۣºÎÒÔõô̯ÉÏÁËÕâô¸ö¼«Æ·Ñо¿Éú£¡ +3 ËÕ¶«ÆÂ¶þÊÀ 2026-08-23 3/150 2026-08-25 10:35 by shisan1313
[»ù½ðÉêÇë] 2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½ +5 process2012 2026-08-23 7/350 2026-08-25 09:42 by huixian257
[»ù½ðÉêÇë] Ö»ÓÐÿÄêÕâÖÖʱºòÀ´¹ä¹äСľ³æ +25 yaoyewhu2008 2026-08-20 27/1350 2026-08-25 08:01 by Equinoxhua
[»ù½ðÉêÇë] Ã÷ÌìÓ¦¸Ã¿É²éÁË£¡£¿ +5 chengyan1220 2026-08-23 5/250 2026-08-24 23:28 by ÎÒ4´ó°×²Ë
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +7 scalable 2026-08-24 7/350 2026-08-24 23:01 by anata1209
[»ù½ðÉêÇë] ûÓÐÈκÎÏûÏ¢-ÊDz»ÊǾÍÁ¹ÁË +7 ͼÀ²Í¼À² 2026-08-24 8/400 2026-08-24 22:00 by maomao_da
[»ù½ðÉêÇë] filecode£¬4¸öjtjcÁË +14 ziyangfang 2026-08-19 17/850 2026-08-24 18:37 by ¹þ¹þ¸ò£¿
[»ù½ðÉêÇë] ½¨Òé»ù½ð·¢²¼Ìáǰ¸ø³öÃ÷È·µÄʱ¼äµã +13 kulium 2026-08-21 16/800 2026-08-24 16:27 by superceng
[»ù½ðÉêÇë] ½ñÈÕ²»·Å°ñ£¿Íø´«¹ú×ÔȻԤ¼Æ 8 Ô 27 Èտɲé½á¹û +17 ҽѧÀÏÄк¢ 2026-08-20 21/1050 2026-08-24 14:21 by refreshing11
[»ù½ðÉêÇë] ÅóÓÑȦ¿´µ½µÄ +7 wangzilk 2026-08-18 9/450 2026-08-24 10:50 by cmrandy
[»ù½ðÉêÇë] ·Å°ñǰµÄ²»µ­¶¨ 20+4 snowwithsea 2026-08-19 17/850 2026-08-24 10:20 by echo8914667
[»ù½ðÉêÇë] ¿ÆÑй¶ùÌ«ÄÑÁË +18 ÎÒ4´ó°×²Ë 2026-08-20 19/950 2026-08-24 09:47 by ¿­¶÷¹ãÊ¢´ß»¯·ÖÎ
[»ù½ðÉêÇë] ʲôʱºò¿ª½±£¿ +10 CrisMessi 2026-08-18 11/550 2026-08-24 06:50 by ¿ªÐĵÄСʨ×Ó
[½Ìʦ֮¼Ò] Ìø²ÛºóÔÚÑÐÏîÄ¿Ôõô°ì£¿ +5 ¼òµ¥»¯xn 2026-08-22 10/500 2026-08-23 12:38 by ¼òµ¥»¯xn
[»ù½ðÉêÇë] ½ñÌì·Å°ñÂ𣿠+15 ²¼²¼ºÍÒ»¶þ 2026-08-19 16/800 2026-08-23 09:55 by ÕÅ´ºÉú
[»ù½ðÉêÇë] Ó¦¸ÃÊÇÏÂÖÜÈý26ÈÕ¹«²¼Á˰ɣ¿ +4 ¹þ¹þ¸ò£¿ 2026-08-21 4/200 2026-08-21 10:58 by Vivilian
[»ù½ðÉêÇë] ½ñÌì·Å°ñûϷÁ衃 +9 yuleib84 2026-08-19 11/550 2026-08-21 10:06 by gltch
[»ù½ðÉêÇë] »ù½ð°¡»ù½ð +4 longfie172 2026-08-20 4/200 2026-08-21 08:58 by mark mao
[»ù½ðÉêÇë] Ã÷Ìì·Å°ñ£¿ +5 Shxjjxjkx 2026-08-18 5/250 2026-08-18 18:14 by -´ó´ó´ó´ó´ó-
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û