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ÎÒµÄINCARÎļþΪ ENCUT=400 ISTART=0;ICHARG=2 ISMEAR=1;SIGMA=0.05 VOSKOWN=0 EDIFF=1E-4 IBRION=2 ISIF=2 NWRITE=2 PREC=Accurate KPOINTSÎļþΪ Automatic generation 0 Monkhorst-Pack 12 12 12 0.0 0.0 0.0 OUTCAR×îºóÊä³öΪ k-point ** : 0.04170.37500.4583 plane waves: 7950 k-point ** : 0.12500.37500.4583 plane waves: 7956 k-point ** : 0.20830.37500.4583 plane waves: 7958 k-point ** : 0.29170.37500.4583 plane waves: 7964 k-point ** : 0.37500.37500.4583 plane waves: 7968 k-point ** : 0.45830.37500.4583 plane waves: 7965 k-point ** : 0.04170.45830.4583 plane waves: 7938 k-point ** : 0.12500.45830.4583 plane waves: 7948 k-point ** : 0.20830.45830.4583 plane waves: 7948 k-point ** : 0.29170.45830.4583 plane waves: 7964 k-point ** : 0.37500.45830.4583 plane waves: 7965 k-point ** : 0.45830.45830.4583 plane waves: 7960 maximum number of plane-waves: 7975 maximal index in each direction: IXMAX= 13 IYMAX= 13 IZMAX= 9 IXMIN=-14 IYMIN=-14 IZMIN=-10 NGX is ok and might be reduce to 56 NGY is ok and might be reduce to 56 NGZ is ok and might be reduce to 40 ²»ÖªÎªÊ²Ã´Ëãµ½ÕâÀïVASP¾ÍÍ˳öÁË£¿ÄÄλÅóÓÑÄܽâ´ðÒ»ÏÂÄØ£¿ [ Last edited by wuchenwf on 2009-6-21 at 20:58 ] |
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- ½ð±Ò: 112.2
- É¢½ð: 5
- ºì»¨: 3
- Ìû×Ó: 1481
- ÔÚÏß: 123Сʱ
- ³æºÅ: 322338
- ×¢²á: 2007-03-11
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: Á¿×Ó»¯Ñ§
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2Â¥2008-09-12 20:35:19
alick1102
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- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 123.1
- Ìû×Ó: 117
- ÔÚÏß: 43.5Сʱ
- ³æºÅ: 591863
- ×¢²á: 2008-09-03
- רҵ: ÀíÂۺͼÆË㻯ѧ

3Â¥2008-09-13 02:08:01
wuxinxing1
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 15052.5
- ºì»¨: 1
- Ìû×Ó: 1913
- ÔÚÏß: 29.9Сʱ
- ³æºÅ: 578407
- ×¢²á: 2008-07-04
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
4Â¥2008-09-13 13:41:37
hufeng
гæ (ÕýʽдÊÖ)
- Ó¦Öú: 5 (Ó×¶ùÔ°)
- ½ð±Ò: 29.8
- É¢½ð: 17
- ºì»¨: 1
- Ìû×Ó: 455
- ÔÚÏß: 80.5Сʱ
- ³æºÅ: 438753
- ×¢²á: 2007-09-28
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔI:½á¹¹¡¢Á¦Ñ§ºÍ
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5Â¥2008-09-13 16:21:09
hgye
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 1406
- Ìû×Ó: 180
- ÔÚÏß: 46.1Сʱ
- ³æºÅ: 461024
- ×¢²á: 2007-11-18
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
6Â¥2008-09-13 18:07:31
spur
½ð³æ (ÕýʽдÊÖ)
- 1STÇ¿Ìû: 1
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ¹ó±ö: 1.21
- ½ð±Ò: 4994.7
- É¢½ð: 559
- ºì»¨: 5
- Ìû×Ó: 866
- ÔÚÏß: 374.9Сʱ
- ³æºÅ: 215683
- ×¢²á: 2006-03-11
- ÐÔ±ð: GG
- רҵ: µÚÒ»ÐÔÔÀí¼ÆËã
7Â¥2008-09-13 21:47:48
alick1102
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 123.1
- Ìû×Ó: 117
- ÔÚÏß: 43.5Сʱ
- ³æºÅ: 591863
- ×¢²á: 2008-09-03
- רҵ: ÀíÂۺͼÆË㻯ѧ
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8Â¥2008-09-14 00:54:27
hufeng
гæ (ÕýʽдÊÖ)
- Ó¦Öú: 5 (Ó×¶ùÔ°)
- ½ð±Ò: 29.8
- É¢½ð: 17
- ºì»¨: 1
- Ìû×Ó: 455
- ÔÚÏß: 80.5Сʱ
- ³æºÅ: 438753
- ×¢²á: 2007-09-28
- ÐÔ±ð: GG
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9Â¥2008-09-16 08:55:35













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