±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2787  |  »Ø¸´: 5

niuxiaoqi721

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] this version requires full pseudpotential generation information ÕâÊÇʲôÇé¿ö£¿

ÎÒÓÅ»¯½á¹¹³öÏÖÁËthis version requires full pseudpotential  generation information£¬²»ÄܽøÐмÆË㣬²»ÖªµÀÔõô½â¾ö£¬ÓÐÈËÖªµÀÂð£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

VASP

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

¼ÓÓÍ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÕÔ---

ľ³æ (ÕýʽдÊÖ)

ÎÒÒ²³öÏÖÕâ¸öÎÊÌâÁË£¬Â¥Ö÷ÏÖÔÚ½â¾öÁËÂð£¿
ŬÁ¦±¼ÅÜ£¬ÆÚ´ýÓëÄãµÄÏàÓö
2Â¥2012-11-08 14:50:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÕÔ---

ľ³æ (ÕýʽдÊÖ)

ØÍÊÆ´íÁË£¬ÎÒ»»Á˸öØÍÊÆ£¬Ä¿Ç°ÕýÔÚ¼ÆËãÖÐ
ŬÁ¦±¼ÅÜ£¬ÆÚ´ýÓëÄãµÄÏàÓö
3Â¥2012-11-08 15:20:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ò«ìÞ

Í­³æ (³õÈëÎÄ̳)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
liliangfang: ½ð±Ò+1, лл½»Á÷ 2013-03-16 08:42:30
ÎÒÒ²³öÏÖÁËÕâ¸öÎÊÌâ£¬Ã²ËÆÊÇÖØÐÂÓÅ»¯µÄʱºò½«CONTCAR¸Ä³ÉÁËPOTCAR£¬Ó¦¸Ã¸ÄΪPOSCAR
4Â¥2013-03-13 10:40:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zyqh

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by ÕÔ--- at 2012-11-08 15:20:37
ØÍÊÆ´íÁË£¬ÎÒ»»Á˸öØÍÊÆ£¬Ä¿Ç°ÕýÔÚ¼ÆËãÖÐ

ÊDz»ÊÇVASP°æ±¾Ì«µÍÁ˵ÄÔ­Òò£¿
Óêºó·½Äܼû²Êºç
5Â¥2015-12-24 20:30:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zyqh

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

Â¥Ö÷£¬ÇëÎÊÄãÕâ¸öÎÊÌâ½â¾öÁËô£¿
ÎÒÒ²Óöµ½ÁËÕâ¸öÎÊÌâ ÎÒÓõÄÊÇ×îаæµÄØÍÊÆ£¬µ«ÊÇVASPÓõÄÊÇ5.2°æ±¾µÄ¡£ÎÒÏëÖªµÀÊDz»Êǰ汾ºÍØÍÊÆ²»Æ¥ÅäÄØ£¿»»Àϰ汾µÄØÍÊÆÓÖ¿ÉÒÔÕý³£¼ÆËãÁË¡£
Óêºó·½Äܼû²Êºç
6Â¥2015-12-24 20:31:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ niuxiaoqi721 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +11 Ò»ÑùYWY 2026-04-05 12/600 2026-04-06 10:30 by lqwchd
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +11 Áº¸»¹óÏÕÖÐÇó 2026-04-04 13/650 2026-04-06 07:24 by houyaoxu
[¿¼ÑÐ] ¿¼Ñе÷¼Á +5 ÃÀÀöµÄyouth_ 2026-04-04 6/300 2026-04-06 06:57 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ085600Çóµ÷¼Á +17 ³ÔµÄ²»ÉÙ 2026-04-05 20/1000 2026-04-06 00:32 by T¿É¿ÉÎ÷ÀïT
[¿¼ÑÐ] 304Çóµ÷¼Á +7 c297914 2026-04-05 8/400 2026-04-05 22:13 by hemengdong
[¿¼ÑÐ] µ÷¼Á +5 ºÃºÃ¶ÁÊé¡£ 2026-04-01 5/250 2026-04-05 17:54 by liucky
[¿¼ÑÐ] 080200ѧ˶£¬277·Ö£¬ÊýÒ»104£¬Çó´ø×ߣ¡ +7 Æ¿×ÓPZ 2026-03-31 7/350 2026-04-05 17:49 by liucky
[¿¼ÑÐ] Çóµ÷¼Á +3 µçÆøÐ¡Éñͯ 2026-04-04 3/150 2026-04-05 10:17 by barlinike
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤363ÇóÍÆ¼ö +7 zh096 2026-04-04 7/350 2026-04-05 09:11 by İÇï26
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬ÇóÉúÎïѧµ÷¼Á£¬326·Ö +6 Áõīī 2026-04-04 6/300 2026-04-04 19:44 by ÌÆãå¶ù
[¿¼ÑÐ] 363Çóµ÷¼Á +7 zh096 2026-04-04 7/350 2026-04-04 17:13 by dongzh2009
[¿¼ÑÐ] 0703Çóµ÷¼Á +6 zizimo 2026-03-31 6/300 2026-04-04 14:16 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Çóµ÷¼Á +8 akdhjs 2026-04-03 8/400 2026-04-03 18:17 by ´÷άING
[¿¼ÑÐ] 0705Àíѧ294Çóµ÷¼Á +3 ³É¹û³É¹ûcg5 2026-04-03 3/150 2026-04-03 14:04 by simons1972
[¿¼ÑÐ] 320Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 3/150 2026-04-03 11:40 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 313Çóµ÷¼Á +3 ¡«Î¢Î¢Á¹¡« 2026-04-03 3/150 2026-04-03 11:25 by à£à£à£0119
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] 310·ÖÇóµ÷¼Á +4 ³É¹¦Éϰ¶wang 2026-04-01 4/200 2026-04-01 20:35 by liu823948201
[¿¼ÑÐ] 349Çóµ÷¼Á +6 ³ÔµÄ²»ÉÙ 2026-04-01 6/300 2026-04-01 17:55 by JYD2011
[¿¼ÑÐ] ÎïÀíѧµ÷¼Á +4 СÑò36 2026-03-30 4/200 2026-03-31 16:16 by lishahe
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û