²é¿´: 2209  |  »Ø¸´: 13
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

yxz476440843

Ìú³æ (СÓÐÃûÆø)

[ÇóÖú] ÄÜ´øÍ¼ÎÊÌâÇóÖú

ÎÒÔÚÓÃvasp¼ÆËãÍêÄÜ´øºó£¬²ð·Ö³É×ÔÐýÏòÉϺÍ×ÔÐýÏÈÏ£¬ÔÙ×÷ͼ£¨ÈçÏÂÊÇ×ÔÐýÏòϵÄͼ£©£¬Çë¸÷λ´óÏÀ°ïÎÒ·ÖÎöһϣ¬ÎÒÊdzõѧÕߣ¬»¹ÇëÖ¸½Ì£¬Ð»Ð»£¡ÌåϵÊdz¬µ¼²ÄÁÏINCARÈçÏÂ
SYSTEM = ****
ENCUT= 600
ISTART=1;ICHARG=11
ISMEAR= 1
SIGMA= 0.22
NBANDS= 60
ISPIN=2
PREC=Accurate
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

liuqun

ľ³æ (СÓÐÃûÆø)

ÏëÎÊÂ¥Ö÷£¬ÄãÊÇÔõô°Ñ×ÔÐýÏòÉϺÍ×ÔÐýÏÈÏ·ֿªµÄÄØ£¿ÓõÄÊÇÈí¼þ»òÕßÄĸö½Å±¾ÄØ
10Â¥2012-06-07 14:51:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 14 ¸ö»Ø´ð

xueht987

ľ³æ (ÕýʽдÊÖ)

ÄãÏëÖªµÀÊ²Ã´ÄØ£¿
2Â¥2012-06-04 19:35:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yxz476440843

Ìú³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by xueht987 at 2012-06-04 19:35:58
ÄãÏëÖªµÀÊ²Ã´ÄØ£¿

Ç×£¬Ð»Ð»ÄúµÄ»Ø¸´£¬ÎÒÏëÖªµÀÎÒÕâ¸öÄÜ´øÓÐÎÊÌâûÓУ¬ÈôÓУ¬ÎÊÌâÔÚÄÄ£¬Ð»Ð»£¡
3Â¥2012-06-04 20:49:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xueht987

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
franch: ½ð±Ò+2, лл»ØÌû½»Á÷ 2012-06-04 21:39:55
ÒýÓûØÌû:
3Â¥: Originally posted by yxz476440843 at 2012-06-04 20:49:33
Ç×£¬Ð»Ð»ÄúµÄ»Ø¸´£¬ÎÒÏëÖªµÀÎÒÕâ¸öÄÜ´øÓÐÎÊÌâûÓУ¬ÈôÓУ¬ÎÊÌâÔÚÄÄ£¬Ð»Ð»£¡...

ÄãÕâ¸öÎÒû¿´³öÎÊÌ⣬ҲÐíÊǽӴ¥³¬µ¼ÌåÌ«ÉÙÁË¡£½¨Òé×îºÃ¿´ÎÄÏ×±ðÈ˵ļÆËã½á¹û¡£
4Â¥2012-06-04 21:01:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ydfyh 2026-03-17 3/150 2026-03-19 10:14 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] 0817µ÷¼Á +3 ûÓдð°¸_ 2026-03-14 3/150 2026-03-19 09:51 by Xu de nuo
[¿¼ÑÐ] 271²ÄÁϹ¤³ÌÇóµ÷¼Á +5 .6lL 2026-03-18 5/250 2026-03-19 03:07 by ÎÞи¿É»÷111
[¿¼ÑÐ] 312Çóµ÷¼Á +8 İå·Ï£ 2026-03-16 9/450 2026-03-18 12:39 by Linda Hu
[¿¼ÑÐ] 299Çóµ÷¼Á +5 ¡÷С͸Ã÷* 2026-03-17 5/250 2026-03-18 11:49 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 ÄÝÄÝninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[¿¼ÑÐ] 296Çóµ÷¼Á +5 ´ó¿Ú³Ô·¹ ÉíÌ彡 2026-03-13 5/250 2026-03-17 21:05 by ²»»ó¿ÉÀÖ
[¿¼ÑÐ] 326Çóµ÷¼Á +5 Éϰ¶µÄСÆÏ 2026-03-15 6/300 2026-03-17 17:26 by ruiyingmiao
[˶²©¼ÒÔ°] ºþ±±¹¤Òµ´óѧ ÉúÃü¿ÆÑ§Ó뽡¿µÑ§Ôº-¿ÎÌâ×éÕÐÊÕ2026¼¶Ê³Æ·/ÉúÎï·½Ïò˶ʿ +3 1ϲ´º8 2026-03-17 5/250 2026-03-17 17:18 by ber´¨cool×Ó
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +5 Ð÷ÐÒÓë×Ó 2026-03-17 5/250 2026-03-17 16:40 by laoshidan
[¿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] 278Çóµ÷¼Á +3 Yy7400 2026-03-13 3/150 2026-03-17 08:24 by laoshidan
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 327Çóµ÷¼Á +6 ʰ¹âÈÎȾ 2026-03-15 11/550 2026-03-15 22:47 by ʰ¹âÈÎȾ
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
[¿¼ÑÐ] Öпƴó²ÄÁÏר˶319Çóµ÷¼Á +3 ÃÏöβÄÁÏ 2026-03-13 3/150 2026-03-14 18:10 by houyaoxu
[¿¼ÑÐ] ѧ˶285Çóµ÷¼Á +13 Wisjxn 2026-03-12 46/2300 2026-03-14 10:33 by JourneyLucky
[¿¼ÑÐ] 330Çóµ÷¼Á +3 ?½´¸øµ÷¼Á¹òÁË 2026-03-13 3/150 2026-03-14 10:13 by JourneyLucky
[¿¼ÑÐ] 0856²ÄÁÏÓ뻯¹¤301Çóµ÷¼Á +5 ÞÈÊø¹â 2026-03-13 5/250 2026-03-13 22:00 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 329Çóµ÷¼Á +3 miaodesi 2026-03-12 4/200 2026-03-13 20:53 by 18595523086
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û