| ²é¿´: 2199 | »Ø¸´: 5 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
fly_elephanÒø³æ (СÓÐÃûÆø)
|
[½»Á÷]
ÓÃvasp¼ÆËãÄÜ´ø½á¹¹Ê±±¨´í
|
||
|
ÎÒÓÃvasp¼ÆËãÄÜ´ø½á¹¹Ê±³öÏÖÈçÏ´íÎó£¬Çë´ó¼ÒÖ¸µãһϣ¬·Ç³£¸Ðл£¡ EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### | | E R R R R O O R R ### ### ### | | E R R R R O O R R ### ### ### | | EEEEE RRRRRR RRRRRR O O RRRRRR # # # | | E R R R R O O R R | | E R R R R O O R R ### ### ### | | EEEEEEE R R R R OOOOOOO R R ### ### ### | | | | Error reading KPOINTS file | | the error occured at line: 2 | | Error reading KPOINTS file | | the error occured at line: 2 | ÎÒµÄINCARºÍKPOINTSÎļþÈçÏ£º INCAR SYSTEM=fcc Si ISTART=0 ICHARG=11 ENCUT=240 EDIFFG=-0.02 ISMEAR=0 SIGMA=0.1 NSW=0 IBRION=-1 PREC=Accurate RWIGS=1.402 1.233 KPOINTS Line-mode rec 0 0 0 !gamma 0.5 0.5 0 !X 0.0 0.0 0.0 !gamma 0.5 0.5 0.5 !L |
» ²ÂÄãϲ»¶
²ÄÁÏר˶306Ó¢Ò»Êý¶þ
ÒѾÓÐ6È˻ظ´
»ï°éÃÇ£¬×£ÎÒÉúÈÕ¿ìÀÖ°É
ÒѾÓÐ26È˻ظ´
»úеר˶325£¬Ñ°ÕÒµ÷¼ÁԺУ
ÒѾÓÐ4È˻ظ´
333Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985
ÒѾÓÐ4È˻ظ´
0854¿ØÖƹ¤³Ì 359Çóµ÷¼Á ¿É¿çרҵ
ÒѾÓÐ9È˻ظ´
Áº³ÉΰÀÏʦ¿ÎÌâ×é»¶ÓÄãµÄ¼ÓÈë
ÒѾÓÐ9È˻ظ´
»¯Ñ§µ÷¼Á0703
ÒѾÓÐ8È˻ظ´
»·¾³¹¤³Ìµ÷¼Á
ÒѾÓÐ6È˻ظ´
326Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ÇóÖú¹ØÓÚÓÃvasp¼ÆËã¶þάʯīϩÄÉÃ×´øËùµÃµ½µÄÄÜ´ø½á¹ûÓ뱨µÀ¶Ô²»ÉÏ
ÒѾÓÐ7È˻ظ´
ÓÃvasp¼ÆË㴿ʯīϩµÄÄÜ´øÊ±£¬diracµãÊÇ´ò¿ªµÄ£¬´øÏ¶²»ÎªÁã
ÒѾÓÐ7È˻ظ´
vasp¼ÆËãÄÜ´ø£¬¸Õ¿ªÊ¼¾Í·þÎñÆ÷¾Í¿¨ÁË
ÒѾÓÐ20È˻ظ´
ÌáÈ¡VASPµÄ²¨º¯Êý£¬»³ö°´½Ç¶¯Á¿×ÅÉ«µÄѤÀöÄÜ´ø½á¹¹
ÒѾÓÐ8È˻ظ´
VASP+SOCºóµÄÄÜ´ø¼ÆËã
ÒѾÓÐ21È˻ظ´
vasp¼ÆËãµÄ°ëµ¼Ìå½á¹¹£¬bands´øÏ¶±ÈdosÀïÃæµÄ´ó£¬ºÎ¹Ê£¿
ÒѾÓÐ33È˻ظ´
ÓÃvaspÈçºÎ¼ÆËãÄÜ´øÍ¼ºÍ̬ÃܶÈÍ¼ÄØ£¿
ÒѾÓÐ11È˻ظ´
¡¾ÇóÖú¡¿VASP¼ÆËãÌåϵÐÔÄÜûÓÐfÄÜ´øµç×Ó
ÒѾÓÐ24È˻ظ´
¡¾ÇóÖú¡¿vasp¼ÆËãPartial Charge£¬ÄÜ´ø½»²æµÄÈçºÎÈ·¶¨IBAND£¿
ÒѾÓÐ13È˻ظ´
¡¾ÇóÖú¡¿Vasp¼ÆËãÄÜ´ø½á¹¹£¬¸ß¶Ô³ÆµãÈçºÎÔÚoriginÖбíʾ
ÒѾÓÐ17È˻ظ´
¡¾ÇóÖú¡¿ÇóVASP¼ÆËãZnOÄÜ´øºÍ̬ÃܶȵÄÏêϸÊäÈëÉèÖÃ
ÒѾÓÐ15È˻ظ´
¡¾ÇóÖú¡¿vaspÓÃneb¼ÆËã¹ý¶É̬±¨´í£¬´íÎóÌáʾÊÇʲôÒâ˼£¿
ÒѾÓÐ9È˻ظ´
» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:
ÄϾ©´óѧÖÇÄÜÇý¶¯Óë¸ÐÖª²ÄÁÏʵÑéÊÒ³ÏÕв©Ê¿/˶ʿ/¿ÆÑÐÖúÀí/·ÃÎÊѧÉú
+1/280
ÎïÀíѧ µ÷¼Á
+1/84
¸£½¨Ê¦·¶´óѧÕÐÊÕ2026Ä껯ѧ¡¢²ÄÁÏ˶ʿ3-4Ãû
+1/82
Ì«ÔÀí¹¤´óѧ²©Ê¿ÕÐÉú µç³Ø¸º¼«²ÄÁÏ ¹Ì̬µç½âÖÊ·½Ïò Óй¤×÷¾ÑéÕßÓÅÏÈ
+1/79
¸£½¨Ê¦·¶´óѧÕÐÊÕ2026Ä껯ѧ¡¢²ÄÁÏ˶ʿ3-4Ãû
+1/78
ɽ¶«Ê¦·¶´óѧÓлú»¯Ñ§×¨ÒµºúÖÒÑàÀÏʦ¿ÎÌâ×éÕÐÊÕ2026½ì˶ʿÑо¿ÉúÒÔ¼°µ÷¼ÁÉú
+1/44
ÉϺ£½»Í¨´óѧµç´ß»¯·½Ïò²©ºóÕÐÆ¸-ÓÐ﮵硢¸ß·Ö×Ó¡¢È¼ÁÏµç³Ø±³¾°ÕßÓÅÏÈ
+1/35
ÖпÆÔºÉú̬»·¾³Ñо¿ÖÐÐĹúÖØÊµÑéÊÒÕÐÆ¸¿Í×ùÑо¿Éú1-2Ãû
+1/31
ÕÐ˶ʿµ÷¼ÁÉú
+2/30
¡¾2026²©Ê¿ÕÐÉú/²©ºóÕÐÆ¸¡¿±±¾©º½¿Õº½Ìì´óѧÅ˱ë¿ÎÌâ×顪¡ªAIоƬÉè¼Æ·½Ïò
+1/14
Çൺ¿Æ¼¼´óѧ0860 µ÷¼ÁÕÐÉú
+1/13
2026ÄêÎ÷ÄϿƼ¼´óѧ¹¦ÄÜÍ¿²ã¿ÎÌâ×é¼ò½é
+1/12
2026ÄêÉϺ£´óѧÍõÁÁ¿ÎÌâ×éÕÐÊÕµç´ß»¯»ò¹â´ß»¯Ñо¿±³¾°µÄ²©Ê¿Éú
+2/10
Ó¢¹ú°£¿ËÈûÌØ´óѧ & ·¨¹ú°ÍÀèÈø¿ËÀ×´óѧÁªºÏÅàÑø²©Ê¿
+1/8
ÉϺ£Ê¦·¶´óѧ»¯Ñ§Óë²ÄÁÏ¿ÆÑ§Ñ§ÔºÈÎÐÂÒ⸱Ñо¿Ô±ÕÐÊÕµ÷¼ÁѧÉú3-4Ãû£¨Óлú»¯Ñ§×¨Òµ£©
+1/5
ÕÐÊÕÀíÂÛÄý¾Û̬ÎïÀí/ÄÉÃ×¹âѧ/Á¿×Ó¼ÆËã·½Ïò²©Ê¿¡¢Ë¶Ê¿Ñо¿Éú/²©Ê¿ºó
+1/1
»¶Ó±¨¿¼Õã½¹¤Òµ´óѧ°£¿ËÈûÌØÁªºÏѧԺ˶ʿÑо¿Éú
+1/1
339Çóµ÷¼Á
+1/1
°Ä´óÀûÑÇ¿ÆÑ§ÔºÔºÊ¿Prof.Gordon Wallace, University of Wollongong È«½±²©Ê¿»ú»á
+1/1
2026ÄêÕã½Ç廪³¤Èý½ÇÑо¿ÔºÖÇ»ÛÄÜÔ´ÖÐÐÄÕÐÆ¸²©Ê¿ºó-µçÆø·½Ïò
+1/1
¡ï
fly_elephan(½ð±Ò+1):лл²ÎÓë
fly_elephan(½ð±Ò+1):лл²ÎÓë
|
INCAR SYSTEM=fcc Si ISTART=0£¨ÄãÒªÓÃÉÏÒ»²½µÄCHGCARºÍCHGÒÔ¼°WAVECAR£¬ËùÒÔÕâÀïÓ¦¸ÃΪ1£© ICHARG=11 ENCUT=240 EDIFFG=-0.02£¨ÎªÊ²Ã´Õâô´ó£© ISMEAR=0 SIGMA=0.1 NSW=0 IBRION=-1 PREC=Accurate RWIGS=1.402 1.233 |
5Â¥2011-05-17 08:15:59
hn19870519
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 45 (СѧÉú)
- ½ð±Ò: 1225.2
- Ìû×Ó: 379
- ÔÚÏß: 203.1Сʱ
- ³æºÅ: 867945
¡ï
fly_elephan(½ð±Ò+1):лл²ÎÓë
fly_elephan(½ð±Ò+1): ллָ½Ì~ 2011-05-13 11:54:33
fly_elephan(½ð±Ò+1):лл²ÎÓë
fly_elephan(½ð±Ò+1): ллָ½Ì~ 2011-05-13 11:54:33
|
¿´Ò»Ï´íÎóÐÅÏ¢°¡¡£ÌáʾÊÇKPOINTSµÄµÚ¶þÐÐÓÐÎÊÌâ.Ò²¾ÍÊÇÄãKµãµÄ¸ñʽÓÐÎÊÌâ¡£ k-points along high symmetry lines 10 Line-mode Reciprocal 0.00 0.00 0.00 !Gamma 0.50 0.00 0.50 !X Â¥Ö÷¸Ã¶à¿´¿´manual |
2Â¥2011-05-13 11:30:45
hn19870519
ľ³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 45 (СѧÉú)
- ½ð±Ò: 1225.2
- Ìû×Ó: 379
- ÔÚÏß: 203.1Сʱ
- ³æºÅ: 867945
¡ï
fly_elephan(½ð±Ò+1): ·Ç³£¸Ðл~ 2011-05-13 11:56:02
youzhizhe(½ð±Ò+1): лл£¬Õý½â¡£ 2011-05-13 12:25:20
fly_elephan(½ð±Ò+1): ·Ç³£¸Ðл~ 2011-05-13 11:56:02
youzhizhe(½ð±Ò+1): лл£¬Õý½â¡£ 2011-05-13 12:25:20
|
¸ñʽӦ¸ÃÊÇÕâÑù¡£ÉÏÃæ·¢´íÁË¡£Ó¦¸ÃÿÌõÏßÉÏÖ¸¶¨È¡¶àÉÙ¸öKµã¡£ k-points along high symmetry lines 10 Line-mode Reciprocal 0.00 0.00 0.00 !Gamma 0.50 0.00 0.50 !X |
3Â¥2011-05-13 11:32:08
enola
¾èÖú¹ó±ö (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 2
- Ó¦Öú: 13 (СѧÉú)
- ½ð±Ò: 1485.9
- Ìû×Ó: 847
- ÔÚÏß: 102.5Сʱ
- ³æºÅ: 947564
4Â¥2011-05-13 14:51:33













»Ø¸´´ËÂ¥