| ²é¿´: 1581 | »Ø¸´: 8 | ||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||
fy-dreamÒø³æ (³õÈëÎÄ̳)
|
[ÇóÖú]
vaspÔËÐÐʱ±¨´í£º Error reading item 'IMAGES' from file INCAR.
|
|
|
ÎÒÏë¼ÆËãTiO2¹âѧÐÔÖÊ£¬ÔÚ¼ÆËãbandÕâÒ»²½£¬³öÏÖÁËÈçÌâËùʾµÄ´íÎó£¬INCARÄÚÈÝÊǰ´ÕÕvaspÊÖ²áÉèÖõģ¬ÄÚÈÝÈçÏ£º SYSTEM=TiO2 ISTART=0 ICHARG=11 ENCUT=500 ISMEAR=0 SIGMA=0.05 GGA=PE NSW=0 LWAVE=.TRUE. IBRION=-1 PREC=Accurate LOPTICS=.TRUE. NPAR=1 NBANDS=465 NEDOS=2000 LRPA=.TRUE. ±¾ÈË·´¸´²é¿´Ã»·¢ÏÖÎÊÌâËùÔÚ£¬Çë¸÷λ¸ßÊÖ²»Áߴͽ̣¡ |
» ²ÂÄãϲ»¶
307Çóµ÷¼Á
ÒѾÓÐ9È˻ظ´
288Çóµ÷¼Á
ÒѾÓÐ15È˻ظ´
085700×ÊÔ´Óë»·¾³308Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
294Çóµ÷¼Á²ÄÁÏÓ뻯¹¤×¨Ë¶
ÒѾÓÐ14È˻ظ´
0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑоÀú ÓжþÇøÎÄÕÂ
ÒѾÓÐ18È˻ظ´
265Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
296Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
0703»¯Ñ§µ÷¼Á
ÒѾÓÐ13È˻ظ´
085600²ÄÁÏÓ뻯¹¤ Çóµ÷¼Á
ÒѾÓÐ15È˻ظ´
ÉúÎïѧµ÷¼ÁÕÐÈË£¡£¡£¡
ÒѾÓÐ4È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
VASPÖÐÈçºÎ´´½¨ INCAR , POSCAR, KPOINTSºÍPOTCARÎļþ
ÒѾÓÐ7È˻ظ´
VASPѰÕÒ¹ý¶É̬
ÒѾÓÐ27È˻ظ´
¡¾ÇóÖú¡¿vaspµÄÔËÐÐʱºò±¨´í£ºError reading item 'IMAGES' from file INCAR.
ÒѾÓÐ13È˻ظ´
¡¾ÇóÖú¡¿vaspÔËÐгö´í ´ó¼Ò°ïæ¿´¿´
ÒѾÓÐ18È˻ظ´
¡¾ÇóÖú¡¿vaspÓÅ»¯ÍŴسö´í ÇóPdµÄINCARÎļþ
ÒѾÓÐ21È˻ظ´
¡¾ÇóÖú¡¿vaspÔËÐÐÎÊÌâ
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖúÍê±Ï¡¿Error reading item 'IMAGES' from file INCAR
ÒѾÓÐ13È˻ظ´
ÄäÃû
Óû§×¢Ïú (СÓÐÃûÆø)
- Ó¦Öú: 13 (СѧÉú)
- ½ð±Ò: 1399.6
- ºì»¨: 1
- Ìû×Ó: 93
- ÔÚÏß: 252.1Сʱ
- ³æºÅ: 0
- ×¢²á: 2010-09-27
- רҵ: ·Ö×ÓÓë½ø»¯Éú̬ѧ
5Â¥2012-09-09 23:11:54
hakuna
ľ³æ (ÖªÃû×÷¼Ò)
- 1STÇ¿Ìû: 3
- Ó¦Öú: 82 (³õÖÐÉú)
- ½ð±Ò: 8735.9
- É¢½ð: 158
- ºì»¨: 126
- Ìû×Ó: 5599
- ÔÚÏß: 1367.2Сʱ
- ³æºÅ: 167622
- ×¢²á: 2006-01-15
- רҵ: ¿¼¹ÅÀíÂÛ
2Â¥2012-09-07 17:38:52
fy-dream
Òø³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 197
- Ìû×Ó: 39
- ÔÚÏß: 111.8Сʱ
- ³æºÅ: 1313825
- ×¢²á: 2011-06-02
- ÐÔ±ð: MM
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
3Â¥2012-09-07 20:27:07
mousekingadv
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 51 (³õÖÐÉú)
- ½ð±Ò: 1141.8
- ºì»¨: 1
- Ìû×Ó: 140
- ÔÚÏß: 28.7Сʱ
- ³æºÅ: 1721002
- ×¢²á: 2012-03-27
- רҵ: ÀíÂۺͼÆË㻯ѧ
4Â¥2012-09-09 12:45:49













»Ø¸´´ËÂ¥