²é¿´: 1978  |  »Ø¸´: 11
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

wenyun0876

ľ³æ (ÕýʽдÊÖ)

ÀÏľ³æ

[½»Á÷] ¡¾ÇóÖú¡¿¸÷ÖÖØÍÊÆµÄÇø±ð

Çë½Ì¸÷λ¸ßÊÖ£¬AbinitÖÐFHI¡¢HGH¡¢PBE¡¢PSP¡¢TeterµÈØÍÊÆµÄÇø±ð£¬ËüÃǵÄÎïÀíÒâÒåÓкβ»Í¬£¿Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»ÐÔÔ­ÀíÔÓ µÚÒ»Ô­Àí×ÊÁÏ»ã±à

» ²ÂÄãϲ»¶

ÐØÎÞ¿éÀÝÐij£Ì©£¬¸¹ÓÐÊ«Ê鯸×Ô»ª£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

baoer3808

Òø³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
qasd(½ð±Ò+1):лл~
GGAÊÇ·½·¨£¬Ëü¿ÉÒÔÓúܶàØÍÊÆµÄ£¬±ÈÈçÄãÉÏÃæËµµÄFHI »¹ÓÐPBE µÈµÈ
9Â¥2009-07-27 09:55:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 12 ¸ö»Ø´ð

tq02ksu

гæ (³õÈëÎÄ̳)

¡ï
fegg7502(½ð±Ò+1,VIP+0):thanks
²»Í¬µÄÈË×öµÄ£¬ ËùÒÔÃû×Ö²»Í¬¡£
2Â¥2008-12-19 15:14:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zxzj05

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

¡ï ¡ï
fegg7502(½ð±Ò+2,VIP+0):thanks
ÐÎʽÉÏÀïÃæ¸ñʽ²»Í¬£¬
ÒâÒåÉÏÓеİüº¬Ïà¶ÔÂÛЧӦ¡¢Ðý¹ìñîºÏ£¬ÓеÄûÓС£
Martins2Abinit ¿ÉÒÔ²úÉúSPIN_ORBIT Troullier-Martins pseudopotentials
HGH¿¼ÂÇÏà¶ÔÂÛЧӦ£¨µ«ÊÇØÍÊÆÌ«¼òµ¥£¬ºÜ¶àÇé¿öϼÆËã²¢²»ºÜ׼ȷ£©
PAWÊdz¬ÈíØÍÊÆ×ª»»¹ýÀ´£¬¼ÆËã½Ï׼ȷ£¬¿ÉÊDz»ÄÜÓÃÓÚÉù×ӯ׼ÆËã

PBEÊÇGGAµÄÒ»ÖÖ½»»»¹ØÁª·ºº¯£¬ØÍÊÆÒ²ÊÇÇø·ÖLDAºÍGGAµÄ¡£
´¢Çâ¼Ò×å»¶Ó­´¢ÇâÑо¿Õߣ¡
3Â¥2008-12-19 21:19:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wenyun0876

ľ³æ (ÕýʽдÊÖ)

ÀÏľ³æ

ÒýÓûØÌû:
Originally posted by zxzj05 at 2008-12-19 21:19:
ÐÎʽÉÏÀïÃæ¸ñʽ²»Í¬£¬
ÒâÒåÉÏÓеİüº¬Ïà¶ÔÂÛЧӦ¡¢Ðý¹ìñîºÏ£¬ÓеÄûÓС£
Martins2Abinit ¿ÉÒÔ²úÉúSPIN_ORBIT Troullier-Martins pseudopotentials
HGH¿¼ÂÇÏà¶ÔÂÛЧӦ£¨µ«ÊÇØÍÊÆÌ«¼òµ¥£¬ºÜ¶àÇé¿öϼÆËã²¢²»ºÜ×¼ ...

лл£¡
ÐØÎÞ¿éÀÝÐij£Ì©£¬¸¹ÓÐÊ«Ê鯸×Ô»ª£¡
4Â¥2008-12-19 23:37:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 321Çóµ÷¼Á +3 ºÎÈó²É123 2026-03-18 3/150 2026-03-18 21:27 by li123456789.
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á 324·Ö +8 llllkkkhh 2026-03-18 8/400 2026-03-18 21:01 by Catalysis25
[¿¼ÑÐ] ²ÄÁÏר˶ӢһÊý¶þ306 +4 z1z2z3879 2026-03-18 4/200 2026-03-18 20:00 by ˜B¸ç
[¿¼ÑÐ] 331Çóµ÷¼Á£¨0703Óлú»¯Ñ§ +7 ZY-05 2026-03-13 8/400 2026-03-18 14:13 by 007_lilei
[¿¼ÑÐ] 299Çóµ÷¼Á +5 ¡÷С͸Ã÷* 2026-03-17 5/250 2026-03-18 11:49 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 334Çóµ÷¼Á +3 Ö¾´æ¸ßÔ¶ÒâÔÚ»úÐ 2026-03-16 3/150 2026-03-18 08:34 by lm4875102
[¿¼ÑÐ] 26¿¼ÑÐÇóµ÷¼Á +6 ؼºêSir 2026-03-13 6/300 2026-03-17 16:13 by ×íÔÚ·çÀï
[¿¼ÑÐ] Áº³ÉΰÀÏʦ¿ÎÌâ×é»¶Ó­ÄãµÄ¼ÓÈë +8 һѼѼӴ 2026-03-14 10/500 2026-03-17 15:07 by һѼѼӴ
[¿¼ÑÐ] 283Çóµ÷¼Á +3 Ìý·ç¾ÍÊÇÓꣻ 2026-03-16 3/150 2026-03-17 07:41 by ÈÈÇéɳĮ
[¿¼ÑÐ] [µ¼Ê¦ÍƼö]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] 318Çóµ÷¼Á +3 Yanyali 2026-03-15 3/150 2026-03-16 16:41 by houyaoxu
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐʦ·¶071000£¬325Çóµ÷¼Á +6 RuitingC 2026-03-12 6/300 2026-03-16 14:50 by ¿Éµ­²»¿ÉÍü
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 290·ÖÓпÆÑо­Àú£¬ÂÛÎÄÔÚͶ +7 ÄåÄågk 2026-03-14 7/350 2026-03-16 10:12 by houyaoxu
[¿¼ÑÐ] ±¾¿ÆÄϾ©´óѧһ־Ը´¨´óҩѧ327 +3 ÂóÌï¸ûÕß 2026-03-14 3/150 2026-03-14 20:04 by ÍâÐÇÎÄÃ÷
[¿¼ÑÐ] 304Çóµ÷¼Á +6 Mochaaaa 2026-03-12 7/350 2026-03-13 22:18 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼ÁÒ»Ö¾Ô¸ 985 ×Ü·Ö 295 +8 dream¡­¡­ 2026-03-12 8/400 2026-03-13 22:17 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Ò»Ö¾Ô¸211»¯Ñ§Ñ§Ë¶310·ÖÇóµ÷¼Á +8 ŬÁ¦·Ü¶·112 2026-03-12 9/450 2026-03-13 15:41 by JourneyLucky
[¿¼ÑÐ] ÍÁľµÚÒ»Ö¾Ô¸276Çóµ÷¼Á£¬¿ÆÑкͼ¼ÄÜÊ®·Ö·á¸»£¬ÇóÐÂÐË·½ÏòµÄµ¼Ê¦ÊÕÁô +3 ÍÁľСÌì²Å 2026-03-12 3/150 2026-03-13 15:01 by JourneyLucky
[¿¼²©] 26¶Á²© +4 Rui135246 2026-03-12 10/500 2026-03-13 07:15 by gaobiao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û