Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1604  |  »Ø¸´: 4

vasp001

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿GW /GW0/G0W0 ¼ÆËãÊDz»ÊÇÒ»¶¨Òª»ùÓÚHSE ¼ÆËãµÄ½á¹û£¿ ÒÑÓÐ4È˲ÎÓë

×î½üÔÚVASP µÄ¹Ù·½ÂÛ̳ÉÏ¿´µ½Ò»¸öÌû×Ó£¬Êǽ«GW ¼ÆËãµÄ£¬ÎÒÏëÇë½Ìһϣ¬GW ¼ÆËãÊDz»ÊÇÒ»¶¨Òª¼Ó»ùÓÚHSE ¼ÆËãµÄ½á¹û£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Ò»¶¨Òª¾«Í¨MaterialsStudios,VASP.
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

valenhou001

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
vasp001(½ð±Ò+1):Thanks . 2010-06-05 12:56:32
gavinliu7390(½ð±Ò+1):лл½»Á÷£¡ 2010-06-06 10:51:45
ÎÒµÄÀí½â£ºÓ¦¸Ã²»Ò»¶¨Òª»ùÓÚHSEµÄ½á¹û¡£HSEºÍGWÊÇÁ½¸ö²»Í¬²ã´ÎµÄ·½·¨¡£
2Â¥2010-06-05 06:13:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

163.com

½ð³æ (ÖøÃûдÊÖ)

ʵϰ°æÖ÷

ÊÇ·½·¨°É£¬Ã»ÓбØÈ»ÁªÏµ¡£
°¢Ê²¶ÙÁª
3Â¥2010-06-05 06:22:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gavinliu7390

ľ³æ (ÖøÃûдÊÖ)

Ò¶ÂäÓ¥·É

¡ï
zzy870720z(½ð±Ò+1):¸Ðл½»Á÷ 2010-06-06 11:27:36
vasp001(½ð±Ò+1): 2010-06-07 07:43:11
GW¼ÓÉÏHSEµÄÐÞÕý»á¸ü׼ȷ¡£
Phys. Rev. Lett. 104, 216404 (2010)
ÕæÀíÊÇÒ»µãµã½Ó½üµÄ£¡
4Â¥2010-06-06 10:55:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ìì¿Õ¿Õ

ľ³æ (ÕýʽдÊÖ)

¡ï
zzy870720z(½ð±Ò+1):ллר¼ÒÖ¸µã 2010-06-17 08:15:44
ÒýÓûØÌû:
Originally posted by gavinliu7390 at 2010-06-06 10:55:57:
GW¼ÓÉÏHSEµÄÐÞÕý»á¸ü׼ȷ¡£
Phys. Rev. Lett. 104, 216404 (2010)

ÎÒÏë°æÖ÷Ó¦¸ÃÎó½âÁË£¬ÄãËù˵µÄÎÄÕÂÊÇʹÓÃÁËËùνµÄGW-BSE·½·¨À´¼ÆË㼤×Ó¹âÆ×¡£¶ø²»ÊÇËùνµÄ»ùÓÚPBE·ºº¯µÄÔÓ»¯·ºº¯HSE¡£

Ç°ÃæÊ¹ÓõÄÊÇËùνµÄ¶àÌå΢ÈÅÀíÂÛ£»ºóÕßÔòÊÇÃܶȷºº¯ÀíÂÛ¡£
ºÃºÃѧϰ£¬ÌìÌìÏòÉÏ£¡ºÙºÙ
5Â¥2010-06-17 00:20:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ vasp001 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +8 ŬÁ¦·Ü¶·112 2026-04-06 8/400 2026-04-07 19:41 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸0703»¯Ñ§ÕÐ61×îÖÕÅÅÃû62»¯Ñ§Çóµ÷¼Á +4 ÕÐ61ÅÅÃû62 2026-04-07 4/200 2026-04-07 19:36 by macy2011
[¿¼ÑÐ] 266Çóµ÷¼Á +23 ÑôÑôÍÛÈû 2026-04-01 23/1150 2026-04-07 09:49 by piklet
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +12 Áº¸»¹óÏÕÖÐÇó 2026-04-04 12/600 2026-04-06 22:54 by chenzhimin
[¿¼ÑÐ] ²ÄÁÏ334Çóµ÷¼Á +19 Eecho# 2026-04-03 19/950 2026-04-06 08:37 by ССÊ÷2024
[¿¼ÑÐ] 348Çóµ÷¼Á +6 wukira 2026-04-04 6/300 2026-04-05 18:11 by Öí»á·É
[¿¼ÑÐ] 298Çóµ÷¼Á +3 manman511 2026-04-05 3/150 2026-04-05 18:09 by kk112233
[¿¼ÑÐ] 282Çóµ÷¼Á +7 aaa³µÁ¾ 2026-04-02 11/550 2026-04-05 17:24 by yulian1987
[¿¼ÑÐ] ¹¤¿Æ277·ÖÇóµ÷¼Á²ÄÁÏ +8 ÉÏÁËÉÏÁËÉÏŶ 2026-04-05 9/450 2026-04-05 13:05 by wwytracy
[¿¼ÑÐ] µ÷¼Á +8 ÐܶþÏëÉϰ¶ 2026-04-04 8/400 2026-04-05 05:27 by houyaoxu
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +15 Ò»ÑùYWY 2026-04-01 15/750 2026-04-04 22:23 by hemengdong
[¿¼ÑÐ] µ÷¼Á +11 JLLLLLLLLLL 2026-04-03 11/550 2026-04-04 22:21 by hemengdong
[¿¼ÑÐ] Çóµ÷¼Á +4 êɹ¦? 2026-04-03 4/200 2026-04-04 21:58 by hemengdong
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +4 zhouzhen654 2026-04-03 4/200 2026-04-04 18:10 by Öí»á·É
[¿¼ÑÐ] 291Çóµ÷¼Á +4 ÃÔÃÉľľ 2026-04-01 5/250 2026-04-04 15:59 by sihailian3
[¿¼ÑÐ] Çóµ÷¼Á +4 ѹÁ¦??´ó 2026-04-03 4/200 2026-04-03 21:36 by à£à£à£0119
[¿¼ÑÐ] 312Çóµ÷¼Á +6 ССī123 2026-04-02 7/350 2026-04-03 07:32 by jsw79
[¿¼ÑÐ] 366Çóµ÷¼ÁÒ»Ö¾Ô¸¶«±±´óѧ +8 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 8/400 2026-04-02 21:39 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 09:15 by olim
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û