| ²é¿´: 255 | »Ø¸´: 2 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
liyong.ganľ³æ (ÕýʽдÊÖ)
|
[½»Á÷]
¡¾ÇóÖú¡¿¡¾ÇóÖú¡¿Ôõô¼ì²âVASP¼ÆËãÖеĽṹºÍµç×Ó£¨electronic and structural£©µÄÊÕÁ
|
||
| How to check whether my VASP calculation is converged or not (both electronic and structural)? |
» ²ÂÄãϲ»¶
²©Ê¿ÑÓµÃÎÒ£¬¿ÆÑÐÄÜÁ¦Ö±ÍùÉÏ´Ú
ÒѾÓÐ7È˻ظ´
ÍËѧ»ò¼á³Ö¶Á
ÒѾÓÐ27È˻ظ´
ÃæÉÏ»ù½ðÉ걨ûÓÐÆäËûµÄ²ÎÓëÕß³ÉÂð
ÒѾÓÐ5È˻ظ´
ÓÐ70ºó»¹¼ÌÐø·Ü¶·ÔÚÖ°³¡ÉϵÄÂð£¿
ÒѾÓÐ5È˻ظ´
Óö¼û²»Ê¡ÐĵļÒÈ˺ÜÄѹý
ÒѾÓÐ22È˻ظ´
¶à×é·Ö¾«ÁóÇóÖú
ÒѾÓÐ6È˻ظ´
cbFeng200881
½ð³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 262.8
- É¢½ð: 3414
- ºì»¨: 2
- ɳ·¢: 12
- Ìû×Ó: 2772
- ÔÚÏß: 699.4Сʱ
- ³æºÅ: 524662
- ×¢²á: 2008-03-14
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2009-06-14 15:29:35
wjhwoods
ͳæ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1165.6
- É¢½ð: 49
- Ìû×Ó: 382
- ÔÚÏß: 191.6Сʱ
- ³æºÅ: 944275
- ×¢²á: 2010-01-18
3Â¥2010-02-05 05:56:47













»Ø¸´´ËÂ¥