| ²é¿´: 4327 | »Ø¸´: 8 | |||||
uuv2010ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)
|
[ÇóÖú]
wannierº¯ÊýÔõÑùͨ¹ývaspµÃµ½£¿
|
| ¿´µ½vasp5.2ÒѾ×öºÃÁËwannierº¯ÊýµÄ½Ó¿Ú£¿ÇëÎÊͨ¹ýÄǸö²ÎÊýÔÚvaspÖÐʵÏÖ£¿¶àл£¡ |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
wannier 90 | µÚÒ»ÐÔ | vasp+wannier90 |
» ²ÂÄãϲ»¶
²ÄÁÏÇóµ÷¼Á Ò»Ö¾Ô¸¹þ¹¤´ó×Ü·Ö298·Ö£¬Ç°Èý¿Æ223·Ö
ÒѾÓÐ5È˻ظ´
085600 286·Ö ²ÄÁÏÇóµ÷¼Á
ÒѾÓÐ6È˻ظ´
086502»¯Ñ§¹¤³Ì342Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
²ÄÁÏÇóµ÷¼ÁÒ»Ö¾Ô¸¹þ¹¤´ó324
ÒѾÓÐ7È˻ظ´
328Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
340Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
Çóµ÷¼ÁÍÆ¼ö ²ÄÁÏ 304
ÒѾÓÐ15È˻ظ´
291Çóµ÷¼Á
ÒѾÓÐ19È˻ظ´
331»·¾³¿ÆÑ§Ó빤³ÌÇóµ÷¼Á
ÒѾÓÐ3È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
VASP Berry phase·½·¨¼ÆËãµç×Ó¼«»¯ÇóÖú
ÒѾÓÐ5È˻ظ´
Çë½ÌһϾ¶ÏòÃܶȷֲ¼ÔõôÌáÈ¡£¿
ÒѾÓÐ21È˻ظ´
vasp½Ó¿Úwannier90¼ÆËãÎÊÌâ
ÒѾÓÐ24È˻ظ´
VASPËã¹âѧÐÔÖÊÖ»Äܵõ½½éµçº¯ÊýÂð£¿
ÒѾÓÐ13È˻ظ´
vasp¼ÆËãÁ˹âѧÐÔÖʺó£¬ÈçºÎ»³ö½éµçº¯ÊýÒÔ¼°ÕÛÉäÂʵÄͼÏñ£¿
ÒѾÓÐ11È˻ظ´
Ç¿ÊÆÔöÇ¿CASTEPÊä³öµÄ¹¤¾ß£ºcheck2xsf £¨Windows°æ£©
ÒѾÓÐ165È˻ظ´
ÈçºÎ¼ÆËãµÂ°Ýº¯Êý£¿ÇóÖú
ÒѾÓÐ10È˻ظ´
VASP Berry phase¼ÆË㼫»¯Ç¿¶È
ÒѾÓÐ18È˻ظ´
berry phase ²Î¿¼Ì¬
ÒѾÓÐ35È˻ظ´
µÚÒ»ÔÀí¶¯Á¦Ñ§µÄϵ×ÛÑ¡Ôñ£¬ºÍ¸÷ÖÖϵ×ÛµÄÊäÈëÎļþExample
ÒѾÓÐ13È˻ظ´
VASP ¼ÆË㹦º¯Êý
ÒѾÓÐ10È˻ظ´
¡¾ÇóÖú¡¿µç×Ó¾ÖÓòº¯Êý
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿wannierº¯ÊýÔÚʵ¼Ê¼ÆËãÖÐÓÐÄÇЩӦÓÃÄØ£¿
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿Çë½ÌvaspÈçºÎʹ±¾Õ÷Öµ°´Ã¿ÌõÄÜ´øÊä³ö
ÒѾÓÐ18È˻ظ´
liuhuimeiwoo
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 1469.1
- É¢½ð: 10
- ºì»¨: 3
- Ìû×Ó: 235
- ÔÚÏß: 40.2Сʱ
- ³æºÅ: 911880
- ×¢²á: 2009-11-24
- ÐÔ±ð: MM
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ

2Â¥2011-11-23 16:22:41
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¥2011-11-23 19:22:41
uuv2010
ÈÙÓþ°æÖ÷ (Ö°Òµ×÷¼Ò)
- 1STÇ¿Ìû: 6
- Ó¦Öú: 160 (¸ßÖÐÉú)
- ¹ó±ö: 3.14
- ½ð±Ò: 3681.7
- É¢½ð: 5802
- ºì»¨: 79
- ɳ·¢: 35
- Ìû×Ó: 4560
- ÔÚÏß: 916Сʱ
- ³æºÅ: 966216
- ×¢²á: 2010-03-09
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
4Â¥2011-11-23 21:40:56
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

5Â¥2011-11-23 23:56:36
shagua8352
Òø³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 554.6
- ºì»¨: 1
- Ìû×Ó: 228
- ÔÚÏß: 210.3Сʱ
- ³æºÅ: 644953
- ×¢²á: 2008-11-03
6Â¥2012-12-25 10:56:12
chenzikun
ͳæ (ÖøÃûдÊÖ)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 7650.4
- É¢½ð: 115
- ºì»¨: 4
- Ìû×Ó: 1550
- ÔÚÏß: 39Сʱ
- ³æºÅ: 3872277
- ×¢²á: 2015-05-15
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
Ëͺ컨һ¶ä |
ÄãºÃ£¬ÇëÎÊÏëÓÃvaspÖеÄwanner90½çÃæ¼ÆËãµÃµ½wannier function£¬´¦ÀíʱÓöµ½ÕâÖÖ±¨´íÊÇʲôÔÒò£¿ Image PC Routine Line Source wannier90.x 00000000004F6D98 Unknown Unknown Unknown wannier90.x 0000000000513408 Unknown Unknown Unknown wannier90.x 00000000004A6694 Unknown Unknown Unknown wannier90.x 00000000004A4D4F Unknown Unknown Unknown wannier90.x 000000000040496A Unknown Unknown Unknown wannier90.x 000000000040371E Unknown Unknown Unknown libc.so.6 00002B0A61FDAB15 Unknown Unknown Unknown wannier90.x 0000000000403629 Unknown Unknown Unknown |

7Â¥2021-10-17 14:05:44
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

8Â¥2021-10-18 09:15:36
|
±¾ÌûÄÚÈݱ»ÆÁ±Î |
9Â¥2022-06-23 22:00:38














»Ø¸´´ËÂ¥
£»¸ß¼û£¡