| ²é¿´: 383 | »Ø¸´: 2 | ||
xiehui0608½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
vasp ´íÎó£¬ÎªÊ²Ã´»á³öÏÖÕâÖÖ´íÎó£¿
|
|
| | W W AA RRRRR N N II N N GGGG !!! | | W W A A R R NN N II NN N G G !!! | | W W A A R R N N N II N N N G !!! | | W WW W AAAAAA RRRRR N N N II N N N G GGG ! | | WW WW A A R R N NN II N NN G G | | W W A A R R N N II N N GGGG !!! | | | | The distance between some ions is very small | | please check the nearest neigbor list in the OUTCAR file | | I HOPE YOU KNOW, WHAT YOU ARE DOING ÕâÊÇÎÒµÄPOSCAR C:test 1.0000 8.5285035822614636 -4.9239338390033465 0.0000000000000000 0.0000000000000000 9.8478676780066893 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 32 1 Cart 8.52850000 -4.92392000 0.00000000000 1.42128000 -0.00001000 0.00000000000 2.13203000 -1.23100000 0.00000000000 3.55352000 -1.23100000 0.00000000000 4.26428000 -2.46195000 0.00000000000 5.68567000 -2.46198000 0.00000000000 6.39642000 -3.69294000 0.00000000000 7.81780000 -3.69296000 0.00000000000 8.52850000 -2.46195000 0.00000000000 1.42128000 2.46195000 0.00000000000 2.13203000 1.23100000 0.00000000000 3.55352000 1.23097000 0.00000000000 4.26428000 0.00001000 0.00000000000 5.68567000 -0.00001000 0.00000000000 6.39642000 -1.23097000 0.00000000000 7.81780000 -1.23100000 0.00000000000 8.52850000 0.00001000 0.00000000000 1.42128000 4.92392000 0.00000000000 2.13203000 3.69296000 0.00000000000 3.55352000 3.69294000 0.00000000000 4.26428000 2.46198000 0.00000000000 5.68567000 2.46195000 0.00000000000 6.39642000 1.23100000 0.00000000000 7.81780000 1.23097000 0.00000000000 8.52850000 2.46198000 0.00000000000 1.42128000 7.38589000 0.00000000000 2.13203000 6.15493000 0.00000000000 3.55352000 6.15491000 0.00000000000 4.26428000 4.92395000 0.00000000000 5.68567000 4.92392000 0.00000000000 6.39642000 3.69296000 0.00000000000 7.81780000 3.69294000 0.00000000000 6.03978571 0.61725209 2.000000000000 |
» ²ÂÄãϲ»¶
Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ£¬³õÊԳɼ¨350Çóµ÷¼Á
ÒѾÓÐ14È˻ظ´
¸´ÊÔµ÷¼Á
ÒѾÓÐ4È˻ظ´
323·Ö£¨¼ÆËã»úÊÓ¾õºÍ´óÄ£ÐÍÏîÄ¿£©ÄÜÖ±½ÓÉÏÊÖ
ÒѾÓÐ3È˻ظ´
311·Ö 22408 Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
320·ÖÈ˹¤ÖÇÄܵ÷¼Á
ÒѾÓÐ7È˻ظ´
Ò»Ö¾Ô¸Ö£´ó0705Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
0703»¯Ñ§
ÒѾÓÐ10È˻ظ´
301Çóµ÷¼Á
ÒѾÓÐ10È˻ظ´
306·Ö²ÄÁÏÓ뻯¹¤Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
vasp¼ÆË㾲̬³öÏÖ´íÎó£¡
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿VASPÇóÖú
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿VASP ¼ÆËã´ÅѧÐÔÖÊʱ³öÏÖ´íÎó
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖúÍê³É¡¿Ìá½»vaspʱ³öÏÖÒÔÏ´íÎó£¬Çë´ó¼Ò°ïæ¿´ÏÂ
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿vasp´íÎó£¬ÇóÖú
ÒѾÓÐ19È˻ظ´
¡¾ÆäËû¡¿VASPÔËÐгöÏÖÕâÑùµÄ´íÎóÌáʾ£¬ÕâÊÇʲôÔÒòÄØ
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿VASPÓÅ»¯Ê±Ôõô³öÏÖÕâÑùµÄ´íÎóÌáʾ
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿VASPÔõô×ö¾§¸ñ²ÎÊýµÄ½á¹¹ÓÅ»¯
ÒѾÓÐ17È˻ظ´
¡¾ÇóÖú¡¿vasp¾²Ì¬¼ÆËãÄÜÁ¿Öµ´íÎó
ÒѾÓÐ21È˻ظ´
¡¾ÇóÖú¡¿vasp²¢Ðа²×°mpich2µÄ´íÎó
ÒѾÓÐ10È˻ظ´
¡¾ÇóÖú³É¹¦¡¿VASPÔËÐдíÎó
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿vaspÓÅ»¯ÍŴسö´í ÇóPdµÄINCARÎļþ
ÒѾÓÐ21È˻ظ´
¡¾ÇóÖú¡¿vasp ±àÒë´íÎó
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿vasp ¶Î´íÎó
ÒѾÓÐ6È˻ظ´
liliangfang
ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)
- 1STÇ¿Ìû: 7
- Ó¦Öú: 138 (¸ßÖÐÉú)
- ¹ó±ö: 0.952
- ½ð±Ò: 10648.7
- É¢½ð: 4575
- ºì»¨: 42
- ɳ·¢: 3
- Ìû×Ó: 1856
- ÔÚÏß: 825.2Сʱ
- ³æºÅ: 1275010
- ×¢²á: 2011-04-23
- ÐÔ±ð: GG
- רҵ: ΢/ÄÉ»úеϵͳ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
2Â¥2012-03-17 09:11:40
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
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+2, ¶àлָ½Ì 2012-03-17 12:12:22
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+2, ¶àлָ½Ì 2012-03-17 12:12:22
| ×¢Òâ¼ì²éÒ»ÏÂcarÊDz»ÊǶ¥¸ñдµÄ£¿·ñÔò»áĬÈÏΪdirect×ø±ê |
3Â¥2012-03-17 11:39:53














»Ø¸´´ËÂ¥