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casjxm
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- ½ð±Ò: 737.1
- É¢½ð: 20
- Ìû×Ó: 443
- ÔÚÏß: 356.1Сʱ
- ³æºÅ: 445122
- ×¢²á: 2007-10-27
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
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лл£¬±ÈÈç˵ÕâÑùµÄÒ»¸ö¼ÆË㣺 ndtset 3 jdtset 1 2 3 #DATASET1 : scf calculation: GS WF in the BZ #******************************************** prtden1 1 kptopt1 1 toldfe1 1.0d-12 #DATASET2 : non scf calculation: GS WF in the whole BZ #***************************************************** getden2 1 kptopt2 2 iscf2 -2 getwfk2 1 tolwfr2 1.0d-22 nband2 8 #DATASET3 : ddk on the MP grid of k-points #***************************************** getwfk3 2 rfdir3 1 1 1 rfelfd3 2 tolwfr3 1.0d-22 nband3 8 kptopt3 2 µÚÒ»´Î¼ÆËãʱDATASET1 and DATASET2 ËãºÃÁË£¬²úÉúÁËtest_2o_DS1_DEN, test_2o_DS1_WFK, test_2o_DS2_WFK, µÈ¼¸¸ö½á¹ûÎļþºó£¬³ÌÐò¾Í¶Ï¿ªÁË£¬ÎÒÏëÔÙ½Ó×ÅÌá½»¸ÃÈÎÎñ£¬Ö±½Ó´ÓDATASET3¿ªÊ¼Ë㣬¸ÃÈçºÎÉèÖÃÄØ£¬·Ç³£¸Ðл |
5Â¥2010-05-03 18:11:29
mudannanzi
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- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1959.1
- Ìû×Ó: 883
- ÔÚÏß: 71.5Сʱ
- ³æºÅ: 976416
- ×¢²á: 2010-03-20
- ÐÔ±ð: GG
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gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-05-02 20:02
xiaohunhun(½ð±Ò+2):лл 2010-05-03 10:50
casjxm(½ð±Ò+5): 2010-05-03 18:12
gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-05-02 20:02
xiaohunhun(½ð±Ò+2):лл 2010-05-03 10:50
casjxm(½ð±Ò+5): 2010-05-03 18:12
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2Â¥2010-05-02 16:29:42
casjxm
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- Ó¦Öú: 19 (СѧÉú)
- ½ð±Ò: 737.1
- É¢½ð: 20
- Ìû×Ó: 443
- ÔÚÏß: 356.1Сʱ
- ³æºÅ: 445122
- ×¢²á: 2007-10-27
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
3Â¥2010-05-02 19:43:39
fzx2008
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- 1STÇ¿Ìû: 9
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- ¹ó±ö: 1.045
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- É¢½ð: 710
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- ɳ·¢: 1
- Ìû×Ó: 1808
- ÔÚÏß: 1601Сʱ
- ³æºÅ: 621341
- ×¢²á: 2008-10-09
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: µÚÒ»ÐÔÔÀí
4Â¥2010-05-03 09:15:06













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