| ²é¿´: 1418 | »Ø¸´: 10 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
zhl2967ͳæ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿ÈçºÎÈ·¶¨·ÑÃ×ÄÜ
|
||
|
ÎÒ¼ÆËãdosʱ·ÖËIJ½£ºÒ»¡¢×ÔÇ¢¼ÆËã ¶þ¡¢·Ç×ÔÇ¢¼ÆËã Èý¡¢²ÉÓÃdos.x¼ÆËã×Ü̬ÃÜ¶È ËÄ¡¢²ÉÓÃprojwfc.xÀ´¼ÆËã·Ö²¨Ì¬Ãܶȡ£ÏÖÔÚµÄÎÊÌâÊǼÆËãµÚÒ»²½Ê±occupations='smearing', smearing='methfessel-paxton'¼ÆËãµÄ·ÑÃ×ÄÜÊÇ6.993evºÍµÚ¶þ²½²ÉÈ¡ occupations='tetrahedra' ¼ÆËãµÄ·ÑÃ×ÄÜÊÇ2.998ev£¬ÄÇÎÒÓ¦¸Ã²ÉÈ¡ÄÄÒ»¸öÄØ |
» ²ÂÄãϲ»¶
ÉúÎïµ÷¼Á
ÒѾÓÐ8È˻ظ´
085602µ÷¼Á ³õÊÔ×Ü·Ö335
ÒѾÓÐ10È˻ظ´
µ÷¼Á
ÒѾÓÐ9È˻ظ´
344Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
0703×Ü·Ö331Çóµ÷¼Á
ÒѾÓÐ18È˻ظ´
085600²ÄÁÏÓ뻯¹¤£¬Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
325 µ÷¼Á
ÒѾÓÐ6È˻ظ´
¸´ÊÔµ÷¼Á
ÒѾÓÐ9È˻ظ´
²ÄÁÏ¿¼ÑÐÇóµ÷¼Á×Ü·Ö280
ÒѾÓÐ24È˻ظ´
ÉúÎïÓëÒ½Ò©273Çóµ÷¼Á
ÒѾÓÐ14È˻ظ´
y1ding
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 0.33
- ½ð±Ò: 5959.3
- É¢½ð: 1
- ºì»¨: 21
- Ìû×Ó: 1884
- ÔÚÏß: 491.1Сʱ
- ³æºÅ: 142265
- ×¢²á: 2005-12-21
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï ¡ï
zxzj05(½ð±Ò+2,VIP+0):3Q£¡ ÆÚ´ý¸ü¶àÌÖÂÛ£¡ 4-15 10:10
zxzj05(½ð±Ò+2,VIP+0):3Q£¡ ÆÚ´ý¸ü¶àÌÖÂÛ£¡ 4-15 10:10
| ²î±ðÕâô´ó,Ò»¶¨ÓдíÎó,¼ì²éÒ»ÏÂ. |
2Â¥2009-04-14 18:51:13
zhl2967
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 196.3
- Ìû×Ó: 64
- ÔÚÏß: 4.3Сʱ
- ³æºÅ: 701511
- ×¢²á: 2009-02-15
3Â¥2009-04-14 19:40:09
y1ding
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 0.33
- ½ð±Ò: 5959.3
- É¢½ð: 1
- ºì»¨: 21
- Ìû×Ó: 1884
- ÔÚÏß: 491.1Сʱ
- ³æºÅ: 142265
- ×¢²á: 2005-12-21
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï ¡ï
zxzj05(½ð±Ò+2,VIP+0):3Q£¡ ÆÚ´ý¸ü¶àÌÖÂÛ£¡ 4-15 10:10
zxzj05(½ð±Ò+2,VIP+0):3Q£¡ ÆÚ´ý¸ü¶àÌÖÂÛ£¡ 4-15 10:10
| smearing='methfessel-paxton' Õâ¸öÖ»ÄÜÓÃÓÚ½ðÊô£¡ |
4Â¥2009-04-14 23:16:42
zhl2967
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 196.3
- Ìû×Ó: 64
- ÔÚÏß: 4.3Сʱ
- ³æºÅ: 701511
- ×¢²á: 2009-02-15
5Â¥2009-04-15 09:05:06
y1ding
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 0.33
- ½ð±Ò: 5959.3
- É¢½ð: 1
- ºì»¨: 21
- Ìû×Ó: 1884
- ÔÚÏß: 491.1Сʱ
- ³æºÅ: 142265
- ×¢²á: 2005-12-21
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
6Â¥2009-04-15 18:58:03
zhl2967
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 196.3
- Ìû×Ó: 64
- ÔÚÏß: 4.3Сʱ
- ³æºÅ: 701511
- ×¢²á: 2009-02-15
7Â¥2009-04-16 19:24:55
y1ding
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 0.33
- ½ð±Ò: 5959.3
- É¢½ð: 1
- ºì»¨: 21
- Ìû×Ó: 1884
- ÔÚÏß: 491.1Сʱ
- ³æºÅ: 142265
- ×¢²á: 2005-12-21
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
¡ï ¡ï
zxzj05(½ð±Ò+2,VIP+0):ÌÖÂÛ½±Àø£¡ 12-1 22:30
zxzj05(½ð±Ò+2,VIP+0):ÌÖÂÛ½±Àø£¡ 12-1 22:30
|
Äã˵µÄÊÇÖ¸occupations»¹ÊÇsmearing ˵Ã÷Êéд×Å£º smearing CHARACTER Default: 'gaussian' 'gaussian', 'gauss': ordinary Gaussian spreading (Default) 'methfessel-paxton', 'm-p', 'mp': Methfessel-Paxton first-order spreading (see PRB 40, 3616 (1989)). 'marzari-vanderbilt', 'cold', 'm-v', 'mv': Marzari-Vanderbilt cold smearing (see PRL 82, 3296 (1999)) 'fermi-dirac', 'f-d', 'fd': smearing with Fermi-Dirac function |
8Â¥2009-04-16 22:15:32
zhl2967
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 196.3
- Ìû×Ó: 64
- ÔÚÏß: 4.3Сʱ
- ³æºÅ: 701511
- ×¢²á: 2009-02-15
¡ï ¡ï
zdhlover(½ð±Ò+2,VIP+0):¹ÄÀøÌÖÂÛ£¬»¶Óг泣À´£¬µã»÷½ñÈÕºì°ü¿ÉÒÔÁìÈ¡¸ü¶à½ð±Ò£¬ºÇºÇ 4-17 16:01
zdhlover(½ð±Ò+2,VIP+0):¹ÄÀøÌÖÂÛ£¬»¶Óг泣À´£¬µã»÷½ñÈÕºì°ü¿ÉÒÔÁìÈ¡¸ü¶à½ð±Ò£¬ºÇºÇ 4-17 16:01
|
ÎÒÊÇÕâÑùÀí½âµÄ£ºoccupationsÊÇÉèÖÃÈ·¶¨µç×ÓÕ¼ÓÐÊýµÄ·½·¨£¬¸³ÖµÎª'smearing'±íʾ²ÉÓÃsmearingµÄ·½·¨À´È·¶¨µç×ÓµÄÕ¼ÓÐÊý£¬smearing¸³ÖµÎª'gaussian'±íʾ²ÉÓÃGaussianº¯ÊýÀ´¾ßÌåÈ·¶¨µç×ÓÕ¼ÓÐÊý¡£ËûÃÇÊÇÒ»ÖֵݽøµÄ¹ØÏµ¡£ ³ÌÐòÊéÉÏ˵¡® gaussian smearing for metals¡¯ ÎÒÊÇÕâÑùÈÏΪµÄ£º smearing=gaussian £¬ÊÇÓÃÓÚ½ðÊôµÄ¡£²»ÖªÊÇ·ñÀí½âÕýÈ· |
9Â¥2009-04-17 13:37:50
idoldog
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 195.7
- ºì»¨: 1
- Ìû×Ó: 138
- ÔÚÏß: 2.7Сʱ
- ³æºÅ: 502318
- ×¢²á: 2008-02-14
- רҵ: »¯Ñ§ÐÅϢѧ
¡ï
zxzj05(½ð±Ò+1,VIP+0):ÌÖÂÛ½±Àø£¡ 12-1 22:31
zxzj05(½ð±Ò+1,VIP+0):ÌÖÂÛ½±Àø£¡ 12-1 22:31
|
Õâ¸öͿĨ·½·¨¿ÉÒÔÓÃÓÚ°ëµ¼ÌåµÄ£¬ºÜ¶àÎÄÏ×É϶¼ÓС£ |
10Â¥2009-05-18 22:09:09














»Ø¸´´ËÂ¥