Znn3bq.jpeg
²é¿´: 914  |  »Ø¸´: 2

ldzh0531

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] G09ÐøËãÎÊÌâ

G09ÓÉÓڶϵçµÈÔ­ÒòÐøËãʱ£¬ÓÃ# restart³ö´íÁË¡£ÓÖÓãº
#opt=restart b3lyp chkbasis guess=checkpointËã¡£·Ö×Ó˵Ã÷ºÍ¶àÖØ¶È¶¼É¾ÁË¡£
¿ÉÊǶ¼ÊÇËãÁËÒ»¶Îʱ¼ä²Å³ö´í£¬ºÃÏñÊÇ103´íÎó¡£ÕâÊÇÔõô»ØÊ£¿Ôõô¸ÄÄØ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

¾²Ë®ËÄÒ¶²Ý

½ð³æ (СÓÐÃûÆø)

С±¿µ°¾«Áé

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ldzh0531(½ð±Ò+2): 2011-12-06 11:37:05
ÄãÓÃgsview´ò¿ªchkÎļþ£¬È»ºóÔÚÉèÖÃһϣ¬ÐøËã¾ÍÐÐÁË¡£
¿ªÐÄÇó֪ÿһÌ죡
2Â¥2011-12-05 20:26:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gujing136

½û³æ (ÎÄ̳¾«Ó¢)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ldzh0531(½ð±Ò+1): 2011-12-09 13:06:35
ÎÒÐøËãµÄʱºòÒ»°ãÊÇÕâÑù
# opt=restart ·½·¨/»ù×é guess=read geom=allcheck
½ÐÀÏèµÄÍÃ×Ó
3Â¥2011-12-09 10:01:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ldzh0531 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§ +29 ÄÝÄÝninicgb 2026-04-04 32/1600 2026-04-08 22:50 by Öí»á·É
[¿¼ÑÐ] ÉúÎïѧѧ˶£¬³õÊÔ351·Ö£¬Çóµ÷¼Á +4 ¡­¡«¡¢Íõ¡­¡« 2026-04-08 5/250 2026-04-08 21:49 by limeifeng
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +13 ŬÁ¦·Ü¶·112 2026-04-08 13/650 2026-04-08 21:17 by ѧԱtURuqU
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +11 ioodiiij 2026-04-08 11/550 2026-04-08 16:48 by tjzhao
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉúÎïÓëÒ½Ò©£¬296·Ö£¬Çóµ÷¼Á +14 66¹ 2026-04-03 16/800 2026-04-08 10:38 by tjzhao
[¿¼ÑÐ] 388Çóµ÷¼Á +6 ËÄ´¨ÍõÌÎ 2026-04-07 8/400 2026-04-08 00:17 by JourneyLucky
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +12 ÏàÐűػá¹ââÍòÕ 2026-04-06 15/750 2026-04-07 21:22 by ÇÇßÕßÕßÕ
[¿¼ÑÐ] 22408 318·ÖÇóµ÷¼Á +4 ÇڷܵÄСÁý°ü 2026-04-06 6/300 2026-04-07 15:05 by Ö½º×555
[¿¼ÑÐ] 304Çóµ÷¼Á +4 luoye0105 2026-04-05 4/200 2026-04-06 21:05 by ľ×Ó¾ý1218
[¿¼ÑÐ] Ò»Ö¾Ô¸°²»Õij211 0703»¯Ñ§×Ü·Ö339Çóµ÷¼Á +7 Íí·ç²»Íí 2026-04-04 7/350 2026-04-06 14:06 by houyaoxu
[¿¼ÑÐ] 277Çóµ÷¼Á +5 ¿¼Ñе÷¼Álxh 2026-04-05 5/250 2026-04-05 19:03 by chy09050039
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 Ò»ÑùYWY 2026-04-03 14/700 2026-04-05 18:20 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Áµ½0856²ÄÁϹ¤³Ì +3 ³Ì9915 2026-04-05 3/150 2026-04-05 18:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 328·Öµ÷¼Á +6 ÃÅmen 2026-04-04 6/300 2026-04-05 13:40 by imissbao
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-03 4/200 2026-04-04 22:17 by hemengdong
[¿¼ÑÐ] ÇóÉúÎïѧרҵµ÷¼Á-332·Ö +5 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 5/250 2026-04-04 10:05 by rzh123456
[¿¼ÑÐ] 286Çóµ÷¼Á +8 lim0922 2026-04-02 8/400 2026-04-03 20:19 by rzh123456
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ò»Ö¾Ô¸ºþÄÏ´óѧÇóµ÷¼Á +5 À¶¼ãƬ 2026-04-02 6/300 2026-04-02 21:37 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
[¿¼ÑÐ] 270µ÷¼Á +7 maxjxbsk 2026-04-02 7/350 2026-04-02 09:50 by yulian1987
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û