²é¿´: 1714  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

quby7503

Òø³æ (ÖøÃûдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÓÃDFTÈçºÎ¼ÆËã´ÅÐÔÎïÖʵÄ˳´Å̬

´ÅÐÔÎïÖʵÄ˳´ÅÊÇÒ»¸ö´ÅÎÞÐò̬£¬´ÅÐÔÔ­×ÓÓµÓдžأ¬µ«×ܴžØÎª0¡£ÓÃÌú´ÅºÍ·´Ìú´ÅÄ£Ä⣬ºÃÏñ¶¼²»Ì«ºÏÊÊ£¬ÒòΪÕâЩ¶¼ÊÇ´ÅÓÐÐò¡£ÄÇô£¬¸ÃÈçºÎÈ¥Ë㣬×îºÃÄÜÌṩ¼¸ÆªÕâÑùËãµÄÎÄÏס£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

fzx2008

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï ¡ï
quby7503(½ð±Ò+1):лл²ÎÓë
zzy870720z(½ð±Ò+2):ллָµã 2010-10-13 12:51:02
˳´Å£¬³£¹æµÄ×ÔÐý·Ç¼«»¯¼ÆËã¼´¿É£¡
non-spin polarized calculation
VASPÖÐ ispin=1
ABINITÖÐ nsppol=1
3Â¥2010-10-12 14:53:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

jphuang_63

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ÓÃDFTÈçºÎ¼ÆËã´ÅÐÔÎïÖʵÄ˳´Å̬

¡ï ¡ï
quby7503(½ð±Ò+1):лл²ÎÓë
bingmou(½ð±Ò+1):¸Ðлָ³ö£¡ 2010-10-06 18:38:50
˳´Å¼ÆË㣬Æä³õʼ×ÔÐýÖµºÃÏñÓ¦¸ÃÈ¡0¡£
»¥Öúѧϰ,¹²Í¬½ø²½!
2Â¥2010-10-06 18:33:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

quby7503

Òø³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by fzx2008 at 2010-10-12 14:53:35:
˳´Å£¬³£¹æµÄ×ÔÐý·Ç¼«»¯¼ÆËã¼´¿É£¡
non-spin polarized calculation
VASPÖÐ ispin=1
ABINITÖÐ nsppol=1

´ÅÐÔÎïÖʵÄ˳´Å̬ÊÇÓоÖÓò´Å¾ØµÄ£¬²ÉÓ÷Ǽ«»¯¼ÆËãÊÇûÓдžصÄ
4Â¥2010-10-13 09:14:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 286·ÖÈ˹¤ÖÇÄÜרҵÇëÇóµ÷¼ÁÔ¸Òâ¿ç¿¼£¡ +3 lemonzzn 2026-03-17 5/250 2026-03-21 11:28 by lemonzzn
[¿¼ÑÐ] Äϲý´óѧ²ÄÁÏר˶311·ÖÇóµ÷¼Á +6 77chaselx 2026-03-20 6/300 2026-03-21 07:24 by JourneyLucky
[¿¼ÑÐ] 316Çóµ÷¼Á +6 ÁºÜçö© 2026-03-19 6/300 2026-03-21 06:32 by Ecowxq666£¡
[¿¼ÑÐ] 310Çóµ÷¼Á +3 baibai1314 2026-03-16 3/150 2026-03-21 03:56 by JourneyLucky
[¿¼ÑÐ] 307Çóµ÷¼Á +3 wyyyqx 2026-03-17 3/150 2026-03-21 03:20 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖйúʯÓÍ´óѧ£¨»ª¶«£© ±¾¿ÆÆë³¹¤Òµ´óѧ +3 ʯÄÜΰ 2026-03-17 3/150 2026-03-21 02:22 by JourneyLucky
[¿¼ÑÐ] 085700×ÊÔ´Óë»·¾³308Çóµ÷¼Á +12 īīĮ 2026-03-18 13/650 2026-03-21 01:42 by JourneyLucky
[¿¼ÑÐ] 274Çóµ÷¼Á +10 S.H1 2026-03-18 10/500 2026-03-20 23:51 by JourneyLucky
[¿¼ÑÐ] ÄϾ©´óѧ»¯Ñ§376Çóµ÷¼Á +3 hisfailed 2026-03-19 6/300 2026-03-20 23:43 by hisfailed
[¿¼ÑÐ] 308Çóµ÷¼Á +3 °¢½ã°¢½ã¼Ò°¡ 2026-03-18 3/150 2026-03-20 23:24 by JourneyLucky
[¿¼ÑÐ] 304Çóµ÷¼Á +7 ˾¿Õ. 2026-03-18 7/350 2026-03-20 23:08 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ ѧ˶ 354Çóµ÷¼Á211»òÕß˫һÁ÷ +3 ÎÒÏëÒª¶ÁÑо¿Éú 2026-03-20 3/150 2026-03-20 20:13 by JourneyLucky
[¿¼ÑÐ] 281Çóµ÷¼Á£¨0805£© +14 ÑÌÏ«Ò亣 2026-03-16 25/1250 2026-03-20 15:47 by yuncha
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +5 ioodiiij 2026-03-17 5/250 2026-03-19 18:22 by zcl123
[¿¼ÑÐ] 311Çóµ÷¼Á +6 26ÑÐ0 2026-03-15 6/300 2026-03-18 14:43 by haxia
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 277µ÷¼Á +5 ×ÔÓɼå±ý¹û×Ó 2026-03-16 6/300 2026-03-17 19:26 by Àîleezz
[¿¼²©] 26É격 +4 °Ë6°Ë68 2026-03-16 4/200 2026-03-17 13:00 by ÇáËɲ»ÉÙËæ
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©´óѧ£¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬µ÷¼Á +4 Jy? 2026-03-16 4/200 2026-03-17 11:02 by gaoqiong
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û