| ²é¿´: 2414 | »Ø¸´: 8 | ||
| ¡¾ÐüÉͽð±Ò¡¿»Ø´ð±¾ÌûÎÊÌ⣬×÷Õß½ªÌìÏ齫ÔùËÍÄú 10 ¸ö½ð±Ò | ||
½ªÌìÏéгæ (³õÈëÎÄ̳)
|
[ÇóÖú]
Çó½ÌÏÂTDEP¼ÆËã¸ßÎÂÉù×ÓµÄÁ÷³Ì ÒÑÓÐ2È˲ÎÓë
|
|
| ÈçÌ⣬Çó½ÌÏÂTDEP¼ÆËã¸ßÎÂÉù×ÓµÄÁ÷³Ì¡£ |
» ²ÂÄãϲ»¶
¿ÒÇëÓÐѧУÊÕÁô
ÒѾÓÐ6È˻ظ´
Çóµ÷¼ÁÍÆ¼ö
ÒѾÓÐ8È˻ظ´
0854Çóµ÷¼Á
ÒѾÓÐ14È˻ظ´
300Çóµ÷¼Á
ÒѾÓÐ9È˻ظ´
291Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
289 ·Ö105500ҩѧר˶Çóµ÷¼Á(ÕÒBÇøÑ§Ð£)
ÒѾÓÐ4È˻ظ´
³õÊÔ324 ÖÐҩѧ Ò»Ö¾Ô¸ÌìÖÐÒ½ Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
ҩѧÇóµ÷¼Á
ÒѾÓÐ14È˻ظ´
327Çóµ÷¼Á
ÒѾÓÐ27È˻ظ´
¼±Ðèµ÷¼Á
ÒѾÓÐ5È˻ظ´
½ªÌìÏé
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 154.6
- Ìû×Ó: 48
- ÔÚÏß: 12Сʱ
- ³æºÅ: 32773014
- ×¢²á: 2023-02-22
- רҵ: ÄÜÔ´»¯¹¤
2Â¥2024-04-06 14:25:47
iamikaruk
ľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 11 (СѧÉú)
- ½ð±Ò: 4950.3
- É¢½ð: 118
- ºì»¨: 76
- Ìû×Ó: 1362
- ÔÚÏß: 543.8Сʱ
- ³æºÅ: 1315985
- ×¢²á: 2011-06-05
- רҵ: ÎÞ»ú·Ç½ðÊôÀàµç½éÖÊÓëµç½â

3Â¥2024-04-09 07:09:10
ÂþÌìÆ®Ñ©
°æÖ÷ (ÖªÃû×÷¼Ò)
ÈÏÕæ×öÊ£¬Ì¤Êµ×öÈË
- 1STÇ¿Ìû: 1
- Ó¦Öú: 362 (˶ʿ)
- ¹ó±ö: 0.108
- ½ð±Ò: 16403.2
- É¢½ð: 13540
- ºì»¨: 392
- ɳ·¢: 2
- Ìû×Ó: 5767
- ÔÚÏß: 2309.3Сʱ
- ³æºÅ: 914852
- ×¢²á: 2009-11-27
- ÐÔ±ð: GG
- רҵ: ²ÄÁÏÎïÀí»¯Ñ§
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
|
https://github.com/tdep-developers/tdep-tutorials Contents Preparations, file parsing, potentials energy surfaces for testing: here Basic handling of the TDEP binaries: here Self-consistent sampling with sTDEP: here Phonon thermodynamics: here Thermal conductivity: here Spectral functions: here Infrared spectroscopy: here Raman spectroscopy: here |

4Â¥2024-04-09 11:16:43
ãå¸ê_
гæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 206.8
- É¢½ð: 20
- Ìû×Ó: 72
- ÔÚÏß: 13.4Сʱ
- ³æºÅ: 21374868
- ×¢²á: 2020-03-06
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
5Â¥2024-05-07 10:55:42
iamikaruk
ľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 11 (СѧÉú)
- ½ð±Ò: 4950.3
- É¢½ð: 118
- ºì»¨: 76
- Ìû×Ó: 1362
- ÔÚÏß: 543.8Сʱ
- ³æºÅ: 1315985
- ×¢²á: 2011-06-05
- רҵ: ÎÞ»ú·Ç½ðÊôÀàµç½éÖÊÓëµç½â

6Â¥2024-05-08 23:26:38
½ªÌìÏé
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 154.6
- Ìû×Ó: 48
- ÔÚÏß: 12Сʱ
- ³æºÅ: 32773014
- ×¢²á: 2023-02-22
- רҵ: ÄÜÔ´»¯¹¤
|
ÄúºÃ£¬ÇëÎÊϽض϶þ½×Èý½×¶¼Ò»Ñù£¬ÕâÖÖÇé¿öÕý³£Âð£¿ÎÒÊÇѡȡfigure_out_symmetry_thingsµÄmax cutoff¡£ ·¢×ÔСľ³æAndroid¿Í»§¶Ë |
7Â¥2024-09-24 14:59:57
plyjz
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 21
- Ìû×Ó: 3
- ÔÚÏß: 1.3Сʱ
- ³æºÅ: 34355145
- ×¢²á: 2023-12-27
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
8Â¥2024-10-14 14:33:37
rlafite
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 198 (¸ßÖÐÉú)
- ½ð±Ò: 11085.2
- ºì»¨: 29
- ɳ·¢: 1
- Ìû×Ó: 922
- ÔÚÏß: 349.2Сʱ
- ³æºÅ: 4563202
- ×¢²á: 2016-04-02
- ÐÔ±ð: GG
- רҵ: ͬ²½·øÉä¼¼Êõ¼°ÆäÓ¦ÓÃ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
|
¸ßÎÂÉù×Ó¼ÆËãµÄ»ù±¾Á÷³Ì£º Ä£Ð͹¹½¨£ºÈ·¶¨Ñо¿µÄ²ÄÁϽṹ£¬½¨Á¢ÏàÓ¦µÄÔ×ÓÄ£ÐÍ£¬Í¨³£Ê¹Óþ§Ìå½á¹¹µÄÓÅ»¯ºÍ¼¸ºÎ½á¹¹¡£ ÊÆÄÜÃæ¼ÆË㣺¼ÆËãÔ×Ó¼äÏ໥×÷ÓõÄÊÆÄÜÃæ£¬Í¨³£Í¨¹ýÃܶȷºº¯ÀíÂÛ£¨DFT£©»òÆäËûÁ¿×Ó»¯Ñ§·½·¨»ñµÃ¡£ Éù×ÓÆµÂʼÆË㣺ͨ¹ý¶ÔÊÆÄÜÃæ½øÐÐ΢ÈÅ£¬¼ÆËãÉù×ӵįµÂʺÍģʽ¡£Õâͨ³£Éæ¼°¼ÆËã¹þÃܶÙÁ¿µÄ¶þ½×µ¼Êý¡£ Éù×Ó×ÔÄܵļÆË㣺ÔÚ¸ßÎÂÏ£¬Éù×Ó»áÓëÆäËûÉù×ÓÏ໥×÷Ó㬵¼ÖÂÉù×ӵįµÂʺÍÊÙÃü·¢Éú±ä»¯¡£ÐèÒª¼ÆËãÉù×ÓµÄ×ÔÄÜÒÔ¿¼ÂÇÕâЩЧӦ¡£ ÈÈÈݺÍÈȵ¼ÂʼÆË㣺ͨ¹ýÉù×ӵįµÂʺÍÊÙÃü£¬¼ÆËãÈÈÈݺÍÈȵ¼ÂʵÈÈÈÁ¦Ñ§ÐÔÖÊ¡£Õâͨ³£É漰ͳ¼ÆÁ¦Ñ§µÄ¼ÆËã¡£ ºó´¦Àí£º¶Ô¼ÆËã½á¹û½øÐкó´¦Àí£¬·ÖÎöÉù×ӵķֲ¼¡¢Ç¿¶È¼°Æä¶ÔÈÈ´«µ¼µÄ¹±Ïס£ ÑéÖ¤Óë±È½Ï£º½«¼ÆËã½á¹ûÓëʵÑéÊý¾Ý»òÆäËûÀíÂÛ½á¹û½øÐбȽϣ¬ÑéÖ¤¼ÆËãµÄ׼ȷÐÔ¡£ Õâ¸öÁ÷³ÌÉæ¼°¶à¸ö¸´ÔӵIJ½Ö裬¾ßÌåʵÏÖʱ¿ÉÒÔÒÀÀµÓÚһЩÈí¼þ°ü£¬ÈçPhonopy¡¢VASP¡¢Quantum ESPRESSOµÈ£¬À´¸¨Öú¼ÆËãºÍÄ£ÄâÉù×ÓÐÔÖÊ |
9Â¥2024-10-14 23:40:10













»Ø¸´´ËÂ¥