Znn3bq.jpeg
²é¿´: 583  |  »Ø¸´: 3
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

mermaid1128

ľ³æ (ÖøÃûдÊÖ)

[½»Á÷] [ÇóÖú]¼ÆËãÉù×ÓÆµÂÊÄܽâÊÍʲôÎÊÌâ

Çë½Ì¼ÆËãÉù×ÓÆµÂÊÄܽâÊÍ»ò˵Ã÷ʲôÎÊÌâ
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liubainian

Òø³æ (СÓÐÃûÆø)

Çë½ÌÒ»ÏÂ

Ôõô¼ÆËãÉù×ÓÆµÂʰ¡
ÊÇÓÃvaspËãµÄÂð¡·
лл
3Â¥2008-09-26 08:37:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

yan_lee

½ð³æ (СÓÐÃûÆø)

You can use the phonon dispersion curves and the elctronic energy from DFT  to anylze  all the thermodynamical properties.
You can also use it to study the  structural stability of the crystals and predict new phases.
In addition, Raman and IR frequencies, sound velocity and elastic properties  can also be obtained.
2Â¥2008-09-25 18:04:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yan_lee

½ð³æ (СÓÐÃûÆø)

As far as I know, just VASP cannot do that. you can use a software named  phonon based on the outputs of VASP to study the phonon frequency at any k point in the BZ.
But they are not free.
Abinit or PWSCF can also simulate the phonn dispersion curves. These two codes  are all free.
4Â¥2008-09-26 22:01:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +9 СÁõͬѧ߹߹ 2026-04-06 10/500 2026-04-09 08:34 by byk122723822
[¿¼ÑÐ] 281Çóµ÷¼Á +10 Ò¬×ÓÄ¢¹½ 2026-04-06 10/500 2026-04-08 11:43 by zzucheup
[¿¼ÑÐ] ²ÄÁÏר˶ µ÷¼Á +17 CXN123456 2026-04-03 17/850 2026-04-08 11:10 by lijunpoly
[¿¼ÑÐ] 277¡¢Ñ§Ë¶£¬Çóµ÷¼Á ÊýÒ»104£¬ +11 Æ¿×ÓPZ 2026-04-07 12/600 2026-04-07 23:30 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] 326Çóµ÷¼Á +5 9ahye 2026-04-02 6/300 2026-04-07 21:37 by lijunpoly
[¿¼ÑÐ] ±¾¿ÆÉúÎïÐÅϢѧ£¬×Ü·Ö362 Çó07 08µ÷¼Á +6 qСٻ1210 2026-04-06 6/300 2026-04-07 19:40 by macy2011
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +3 19123253302 2026-04-06 3/150 2026-04-07 18:00 by jp9609
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤363ÇóÍÆ¼ö +11 zh096 2026-04-04 11/550 2026-04-06 19:14 by guanxin1001
[¿¼ÑÐ] Ò»Ö¾Ô¸C9µÄ»¯Ñ§¹¤³Ì£¨085602£© 340·Ö£¬¸Ð¾õУÄÚµ÷¼ÁÎÞÍû£¬Çóµ÷¼Á +12 ÍòÊÂÒËÕé 2026-04-04 12/600 2026-04-06 07:46 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 296Çóµ÷¼Á +3 Íô£¡£¿£¡ 2026-04-05 4/200 2026-04-05 20:13 by à£à£à£0119
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +4 cs0106 2026-04-04 4/200 2026-04-05 18:46 by imissbao
[¿¼ÑÐ] ¿¼ÑÐÉúÎïѧ¿¼AÇø211£¬³õÊÔ322£¬¿ÆÄ¿Éú»¯ºÍÉúÎï×ۺϣ¬Çóµ÷¼Á +6 ¡£¡£¡£54 2026-04-03 6/300 2026-04-05 14:54 by JOKER0401
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +12 19123253302 2026-04-04 12/600 2026-04-05 08:08 by 544594351
[¿¼ÑÐ] 331Çóµ÷¼Á +3 niby 2026-04-02 3/150 2026-04-04 19:56 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 22408Çóµ÷¼Á 354·Ö ¿É¿çרҵ +3 hannnnnnn 2026-04-04 3/150 2026-04-04 14:35 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸±±Àí325·ÖÇóµ÷¼Á +6 ÕÒµ÷¼Á£¬£¬ 2026-04-02 6/300 2026-04-03 22:20 by –¹Æ?
[¿¼ÑÐ] 285Çóµ÷¼Á +7 AZMK 2026-04-02 9/450 2026-04-03 11:12 by wanwan00
[¿¼ÑÐ] 279Çóµ÷¼Á +6 qazplm0852 2026-04-02 6/300 2026-04-03 10:03 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +3 masss11222 2026-04-02 3/150 2026-04-02 18:11 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û