| ²é¿´: 5682 | »Ø¸´: 7 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
qlm2001Ìú³æ (СÓÐÃûÆø)
|
[½»Á÷]
VASPÖÐÈçºÎ´´½¨ INCAR , POSCAR, KPOINTSºÍPOTCARÎļþ ÒÑÓÐ7È˲ÎÓë
|
||
|
ºÃ²»ÈÝÒ××°ºÃVASP£¬¶Ô¼ÆË㻹²»ÊǺÜÁ˽⣬ÏëÕÒ¸öÀý×ÓËãË㣬µ«²»ÖªµÀÈçºÎ´´½¨ INCAR, POSCAR, kPOINTS ºÍPOTCARµÈÎļþ£¬ÊÇÖ±½ÓÔÚϵͳϽ¨¸ödocument, È»ºó°ÑÄÚÈÝÕ³µ½ÀïÃæ¾Í¿ÉÒÔÂ𣿣¿ ллÁË¡£ [ Last edited by qlm2001 on 2012-5-13 at 12:08 ] |
» ²ÂÄãϲ»¶
316Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
346Çóµ÷¼Á[0856]
ÒѾÓÐ7È˻ظ´
һ־Ըɽ´ó07»¯Ñ§ 332·Ö ËÄÁù¼¶Òѹý ±¾¿ÆÉ½¶«Ë«·Ç Çóµ÷¼Á£¡
ÒѾÓÐ3È˻ظ´
310Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
»úеר˶299Çóµ÷¼ÁÖÁ²ÄÁÏ
ÒѾÓÐ4È˻ظ´
070300»¯Ñ§319Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
08¹¤¿Æ 320×Ü·Ö Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸Ìì½ò´óѧ»¯Ñ§¹¤ÒÕרҵ£¨081702£©315·ÖÇóµ÷¼Á
ÒѾÓÐ12È˻ظ´
307Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
265Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
VASPÖÐPOSCARÎļþµÄÉú³É
ÒѾÓÐ8È˻ظ´
VASP 5.2.12 ÒÔÉÏ ¿ÉÒÔÖ±½ÓÔÚINCARÖÐÉèÖÃKµã
ÒѾÓÐ9È˻ظ´
vasp5.2¼ÆËã°ëµ¼ÌåSi¹âѧÐÔÖʵÄ×ܽá
ÒѾÓÐ106È˻ظ´
ÓÃvasp¼ÆËãCÄÉÃ׹ܵÄINCAR.KPOINTS.POSCAR Ôõôд£¿£¿£¿
ÒѾÓÐ3È˻ظ´
vasp²¢Ðгö´í£¬¼±ÓÚÇóÖú£¡£¡£¡
ÒѾÓÐ13È˻ظ´
VASP·Ö×Ó¶¯Á¦Ñ§ÓÅ»¯µÄINCARÈçÏ£¬ÔõôCONTCARºÍPOSCARûÓÐʲô±ä»¯°¡£¿
ÒѾÓÐ13È˻ظ´
VASPÖÐÈçºÎ»ñµÃPOTCARÎļþ£¿
ÒѾÓÐ8È˻ظ´
¡¾ÇóÖú¡¿²ËÄñÎÊÓйØVASP×÷ÒµÌá½»µÄÎÊÌ⣡
ÒѾÓÐ21È˻ظ´
¡¾ÇóÖú¡¿kµãÊýÄ¿µÄÓÅ»¯ËãÀý
ÒѾÓÐ14È˻ظ´
¡¾ÇóÖú¡¿VASP¼ÆËãµç×Ó̬ÃܶÈ
ÒѾÓÐ34È˻ظ´
¡¾ÌÖÂÛ¡¿NEBѰÕÒ¹ý¶É̬רÌâÌÖÂÛ
ÒѾÓÐ49È˻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
¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
WDD880227: ½ð±Ò+1, ¶àл°ïÖúºÍÌáʾ 2012-05-11 09:15:16
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
WDD880227: ½ð±Ò+1, ¶àл°ïÖúºÍÌáʾ 2012-05-11 09:15:16
|
http://muchong.com/bbs/viewthread.php?tid=646901 http://muchong.com/bbs/viewthread.php?tid=3900982 ²Î¿¼Ò»Ï°ɣ¬»¹ÓÐÇëÐ޸ĵôÌû×ÓÀïÃæµÄ½ûÓôÊÓ·ñÔò½«¸øÓè¼ÇÎ¥¹æ£¬Ð»Ð»ºÏ×÷ |
4Â¥2012-05-10 18:58:00
04nylxb
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 33 (СѧÉú)
- ½ð±Ò: 2321.9
- É¢½ð: 46
- ºì»¨: 4
- Ìû×Ó: 824
- ÔÚÏß: 262.6Сʱ
- ³æºÅ: 817223
- ×¢²á: 2009-07-28
- ÐÔ±ð: GG
- רҵ: ¹¤³ÌÈÈÎïÀíÏà¹Ø½»²æÁìÓò

2Â¥2012-05-10 18:14:09
huangll99
ľ³æ (Ö°Òµ×÷¼Ò)
- Ó¦Öú: 43 (СѧÉú)
- ½ð±Ò: 775.9
- É¢½ð: 2040
- ºì»¨: 20
- ɳ·¢: 8
- Ìû×Ó: 4051
- ÔÚÏß: 1447.4Сʱ
- ³æºÅ: 1521828
- ×¢²á: 2011-12-03
- ÐÔ±ð: GG
- רҵ: ¼ÆËã»úÈí¼þ
3Â¥2012-05-10 18:21:24
xiongb123456
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 17 (СѧÉú)
- ½ð±Ò: 207.8
- É¢½ð: 134
- ºì»¨: 5
- Ìû×Ó: 183
- ÔÚÏß: 112.7Сʱ
- ³æºÅ: 896637
- ×¢²á: 2009-11-07
- רҵ: µç»¯Ñ§
5Â¥2012-05-10 20:23:22













»Ø¸´´ËÂ¥


10