Znn3bq.jpeg
²é¿´: 1735  |  »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

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
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

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
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[˶²©¼ÒÔ°] 0856²ÄÁÏ»¯¹¤Çóµ÷¼Á£¬Ò»Ö¾Ô¸211£¬³õÊԳɼ¨349 +5 ½­»´±±Ô 2026-04-05 5/250 2026-04-10 16:26 by ¸ßά´º
[¿¼ÑÐ] 346£¬¹¤¿Æ0854Çóµ÷¼Á£¬×¨Ë¶ +4 moser233 2026-04-10 5/250 2026-04-10 16:21 by fxue1114
[¿¼ÑÐ] 292Çóµ÷¼Á +9 ЦЦԬ 2026-04-09 9/450 2026-04-10 10:05 by LHGeng
[¿¼ÑÐ] 22408 366·Ö£¬±¾¿Æ211£¬Ò»Ö¾Ô¸Î÷¹¤´ó +3 Rubt 2026-04-09 3/150 2026-04-10 09:38 by liuhuiying09
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +11 Ò»ÑùYWY 2026-04-05 11/550 2026-04-10 09:32 by ÖÓÖÞ2011
[¿¼ÑÐ] 070300»¯Ñ§ Çóµ÷¼Á +13 73372112 2026-04-08 13/650 2026-04-09 20:22 by maddjdld
[¿¼ÑÐ] 332£¬085601Çóµ÷¼Á +12 ydfyh 2026-04-09 14/700 2026-04-09 17:28 by wp06
[¿¼ÑÐ] 348Çóµ÷¼Á +3 candyyyi 2026-04-09 3/150 2026-04-09 17:20 by ¶ÎΰÑÞ
[¿¼ÑÐ] 291Çóµ÷¼Á +7 ¹ØÒä±±. 2026-04-09 8/400 2026-04-09 15:17 by ̽123
[¿¼ÑÐ] 085600£¬321·ÖÇóµ÷¼Á +19 ´ó²öС×Ó 2026-04-04 20/1000 2026-04-09 14:12 by Delta2012
[¿¼ÑÐ] 0860004 Çóµ÷¼Á 309·Ö +7 Yin DY 2026-04-08 7/350 2026-04-09 14:06 by ditto77778
[¿¼ÑÐ] 328Çóµ÷¼Á +17 lftmya 2026-04-07 18/900 2026-04-09 08:05 by 5268321
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬0703»¯Ñ§305·ÖÇóµ÷¼Á +20 ÑÏÎ÷Î÷Ï· 2026-04-06 26/1300 2026-04-08 22:12 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +16 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-05 16/800 2026-04-08 16:02 by luoyongfeng
[¿¼ÑÐ] 388Çóµ÷¼Á +6 ËÄ´¨ÍõÌÎ 2026-04-07 8/400 2026-04-08 00:17 by JourneyLucky
[¿¼ÑÐ] µ÷¼ÁÇóÖú£¨ÉúÎïÓëÒ½Ò©£© +6 @6952 2026-04-06 6/300 2026-04-07 23:52 by lys0704
[¿¼ÑÐ] 323Çóµ÷¼Á +3 ÁÖzlu 2026-04-07 4/200 2026-04-07 23:21 by lbsjt
[¿¼ÑÐ] 259Çóµ÷¼Á +5 ¾Í°®³ÔÍÁ¶¹Ñ½Ñ½ 2026-04-07 5/250 2026-04-07 22:40 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷µç085401Çóµ÷¼Á +4 sunw1306 2026-04-07 4/200 2026-04-07 16:40 by à£à£à£0119
[¿¼ÑÐ] ¹¤¿Æ370Çóµ÷¼Á +3 äçÐļ弦µ° 2026-04-05 3/150 2026-04-06 10:55 by ÕâÊÇÒ»¸öÎÞÁĵÄê
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û