Znn3bq.jpeg
²é¿´: 2038  |  »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

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
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

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

beefly

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

µØ¹µÓÍÒ±Á¶×¨¼Ò

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
qasd(½ð±Ò+2):лл~
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 ...

ÇëÎÊ£º²»Í¬µÄGGA£¬ÊDz»ÊÇÒªÓò»Í¬µÄPPÄØ£¿
beefly¡¶Î÷̫ƽÑó´óѧÏÖ´úÓ¢ºº´Êµä¡·[bi:fli]Å£ÈâÒ»°ãµØ
8Â¥2009-07-26 22:37:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 284Çóµ÷¼Á +7 archer.. 2026-04-09 8/400 2026-04-09 21:30 by bljnqdcc
[¿¼ÑÐ] µ÷¼Á +8 Ö»ÐðÀë±ð´Ç 2026-04-09 10/500 2026-04-09 20:25 by zl8213662
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +12 СÁõͬѧ߹߹ 2026-04-06 13/650 2026-04-09 17:07 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ 22408 305·ÖÇóµ÷¼Á +3 °²Ð¡Âúzzz 2026-04-08 3/150 2026-04-09 16:16 by wp06
[¿¼ÑÐ] 322Çóµ÷¼Á£¬08¹¤¿Æ +3 ½ñÌìÊǸöСºÅ 2026-04-08 3/150 2026-04-09 15:53 by wp06
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +13 ÏàÐűػá¹ââÍòÕ 2026-04-06 16/800 2026-04-09 13:54 by ÐìÁ¼°×ü´óÏÀ
[¿¼ÑÐ] ¶þ´Îµ÷¼ÁÇóÀÏʦÊÕÁô +3 ЦЦԬ 2026-04-08 3/150 2026-04-08 23:50 by ×íÔÚ·çÀï
[¿¼ÑÐ] 266µ÷¼Á +8 daya sun 2026-04-07 9/450 2026-04-08 20:27 by yutian743
[¿¼ÑÐ] 264Çóµ÷¼Á +11 ÂóС¶£µ± 2026-04-07 11/550 2026-04-08 16:05 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +16 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-05 16/800 2026-04-08 16:02 by luoyongfeng
[¿¼ÑÐ] 304Çóµ÷¼Á +10 ËØÄê¼ÀÓï 2026-04-06 17/850 2026-04-08 09:05 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 325 µ÷¼Á +6 QQСϺ 2026-04-07 6/300 2026-04-07 15:17 by Ccclqqq
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 WwwwwwwÍÛ 2026-04-06 3/150 2026-04-06 20:55 by lbsjt
[¿¼ÑÐ] 26×ÔÈ»µØÀíѧ303·ÖÇóµ÷¼Á +4 Ò»Õ½³É˶°¡°¡°¡° 2026-04-06 9/450 2026-04-06 20:35 by lin-da
[¿¼ÑÐ] 362Çóµ÷¼ÁÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ +4 ÎÒÒª¿¼´ó 2026-04-06 6/300 2026-04-06 14:11 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 327Çóµ÷¼Á +4 ʰ¹âÈÎȾ 2026-04-05 4/200 2026-04-05 20:16 by ÄϺ½~ÍòÀÏʦ
[¿¼ÑÐ] Çóµ÷¼Á +10 Hllºú 2026-04-04 10/500 2026-04-05 20:09 by nepu_uu
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +7 СÄô°®Ñ§Ï° 2026-04-03 7/350 2026-04-04 21:51 by hemengdong
[¿¼ÑÐ] ÔõôɾÌû×Ó°¡ +3 ·ìêØ1000 2026-04-04 3/150 2026-04-04 14:20 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©½»Í¨´óѧ²ÄÁϹ¤³Ì×Ü·Ö358 +4 cs0106 2026-04-03 4/200 2026-04-03 13:41 by °ÙÁéͯ888
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û