²é¿´: 1421  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xiaoluoj

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] ´øµçȱÏݵÄÓÅ»¯ÎªÊ²Ã´¿´²»µ½Ðαä

ÔÚÎÄÏ×Öп´µ½ÈçÏÂͼ£¬Ñо¿µÄÊÇSi3N4£¬168 ¸öÔ­×Ó£¬Ò»¸öN¿Õλ¡£Í¨¹ýÓÅ»¯ÎÒ·¢ÏÖ¡°ÖÐÐÔ̬¡±ºÍ¡°¡ª¡±µÄÓÅ»¯ºóµÄ½á¹¹ÊÇÒ»ÑùµÄ£¬¿´²»µ½ÈçͼµÄ½á¹û
  PS£ºÎÒÊÇÓÃvaspµÄ£¬¶ÔÓÚ¡°¡ª¡±µÄÓÅ»¯£¬ÎÒÊÇÔÚ¡°ÖÐÐÔ̬¡±ÓÅ»¯µÄ½á¹ûÉÏͨ¹ýÉèÖÃNELECTÀ´ÉèÖôøµç״̬µÄ
  Çë¸ßÊÖ²»Áߴͽ̣¬ÊDz»ÊÇÄÄÀï´íÁË£¬»¹ÊÇ·½·¨²»¶Ô
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ºØÒÇ

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by xiaoluoj at 2012-05-21 14:28:42:
ÎÒÊÇͨ¹ý¶Ô±È×ø±ê£¬Ã»Óб仯

ÓÐÕâÖÖ¿ÉÄÜ£¬±Ï¾¹Õâ¸öÊÇÖÜÆÚÐÔµÄÌåϵ£¬×îÎȶ¨µÄ½á¹¹¿ÏÄÜ»áÒ»Ñù£¬¾ßÌåµÄûÊÔ¹ý¡£
µ«ÎÒ¾õµÃ²»¹ÜÄãÔõôÓÅ»¯£¬ÔÚÄãÓÅ»¯Íêºó£¬ÔÙÓÃͬÑùµÄÓÅ»¯·½Ê½È¥ÓÅ»¯ ×ø±ê¶¼»áÓб仯µÄ£¬²»¿ÉÄÜÍêȫһÑù£¬ÎÒ¾õµÃÄãÕâ¸öÓÅ»¯¹ý³ÌÓÐÎÊÌâ¡£
à½À²À²à½À²À²à½
4Â¥2012-05-21 16:52:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

ºØÒÇ

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+2, ллָ½Ì 2012-05-21 15:24:17
xiaoluoj: ½ð±Ò+5 2012-05-22 12:21:19
ÓÐûÓб仯²»ÊÇÄãÄÜ¿´³öÀ´µÄ£¬Äã²é¿´POSCARÀïÃæµÄ×ø±ê¾ÍÖªµÀÁË
à½À²À²à½À²À²à½
2Â¥2012-05-21 08:18:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiaoluoj

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by ºØÒÇ at 2012-05-21 08:18:55:
ÓÐûÓб仯²»ÊÇÄãÄÜ¿´³öÀ´µÄ£¬Äã²é¿´POSCARÀïÃæµÄ×ø±ê¾ÍÖªµÀÁË

ÎÒÊÇͨ¹ý¶Ô±È×ø±ê£¬Ã»Óб仯
3Â¥2012-05-21 14:28:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiaoluoj

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
6Â¥: Originally posted by ºØÒÇ at 2012-05-21 22:56:08:
SYSTERM=beta silicon nitride  168
ISTART=0
#ICHARG=       !Default:if ISTART=0, 2;else 0.  
               ! 0_ Calculate charge density from initial wave function            
               !

£¬ÎÒÓÅ»¯Ê±Ò»Ö±Ã»ÓÐÉèÖÃNSW£¬µ«ÎªÊ²Ã´ÒÔǰÎÒÓÃÕâ¸öINCARÓÅ»¯È±Ïݽṹʱ£¬·¢ÏÖȱÏÝÖÜΧµÄÔ­×ÓλÖû¹ÊǻᶯµÄ£¿°´Àí˵ûÓÐÀë×ÓÓÅ»¯£¬ÆäλÖÃÊDz»¶¯µÄ£»ÁíÍ⣬NSWÒ»°ãÉèÖöà´ó£¿
7Â¥2012-05-22 12:26:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çó²ÄÁϵ÷¼Á +10 ¸ô±Ú³ÂÏÈÉú 2026-03-12 10/500 2026-03-19 09:15 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 085601Çóµ÷¼Á +4 Du.11 2026-03-16 4/200 2026-03-17 17:08 by ruiyingmiao
[¿¼ÑÐ] ±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶ +16 ²»ÖªµÀ½Ðʲô£¡ 2026-03-15 18/900 2026-03-17 17:05 by ruiyingmiao
[¿¼ÑÐ] 332Çóµ÷¼Á +6 Zz°æ 2026-03-13 6/300 2026-03-17 17:03 by ruiyingmiao
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +6 ´ó»ðɽС»ðɽ 2026-03-16 8/400 2026-03-17 15:05 by ÎÞи¿É»÷111
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤×¨Ë¶µ÷¼Á +5 heming3743 2026-03-16 5/250 2026-03-17 14:03 by Ó¸ÒÌ«¼àÍõ¹«¹«
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶274Ò»Ö¾Ô¸211Çóµ÷¼Á +6 Ñ¦ÔÆÅô 2026-03-15 6/300 2026-03-17 11:05 by ѧԱh26Tkc
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
[¿¼ÑÐ] Ò»Ö¾Ô¸£¬¸£ÖÝ´óѧ²ÄÁÏר˶339·ÖÇóµ÷¼Á +3 ľ×ÓmomoÇàÕù 2026-03-15 3/150 2026-03-17 07:52 by laoshidan
[¿¼ÑÐ] [µ¼Ê¦ÍƼö]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸211 285·ÖÇóµ÷¼Á +5 ly3471z 2026-03-13 5/250 2026-03-16 16:16 by ŶŶ123
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
[¿¼ÑÐ] 070303 ×Ü·Ö349Çóµ÷¼Á +3 LJY9966 2026-03-15 5/250 2026-03-16 14:24 by xwxstudy
[¿¼ÑÐ] 26¿¼ÑÐÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ(»ª¶«)305·ÖÇóµ÷¼Á +3 ¼ÎÄêÐÂ³Ì 2026-03-15 3/150 2026-03-15 13:58 by ¹þ¹þ¹þ¹þºÙºÙºÙ
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ¿ÆÑ§Ó빤³Ì/×Ü·Ö295/ÇóÊÕÁô +9 2026µ÷¼ÁÏÀ 2026-03-12 9/450 2026-03-13 20:46 by 18595523086
[¿¼ÑÐ] 307Çóµ÷¼Á +5 ³¬¼¶ÒÁ°º´óÍõ 2026-03-12 5/250 2026-03-13 15:56 by °ô°ôÇòÊÖ
[¿¼ÑÐ] 274Çóµ÷¼Á +3 S.H1 2026-03-12 3/150 2026-03-13 15:15 by JourneyLucky
[¿¼ÑÐ] 290Çóµ÷¼Á +3 ADT 2026-03-13 3/150 2026-03-13 10:19 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û