²é¿´: 3196  |  »Ø¸´: 9
¡¾ÐüÉͽð±Ò¡¿»Ø´ð±¾ÌûÎÊÌ⣬×÷Õß¼÷ÍâÈË01½«ÔùËÍÄú 5 ¸ö½ð±Ò
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

¼÷ÍâÈË01

гæ (³õÈëÎÄ̳)

[ÇóÖú] MS¶Ô¹¹½¨µÄÃÉÍÑʯ³¬°ûÓÃQEq¼ÆËãµçºÉ±¨´í£¬¸ÃÔõô½â¾öÄØ£¿Ð»Ð»£¡

¹¹½¨ÃÉÍÑʯºó£¬²ÉÓÃUFFÁ¦³¡£¬QeqËã·¨À´¶ÔÆä½øÐÐÓÅ»¯£¬È»ºó¾Í³öÏÖ±¨´íÁË¡£??
This periodic system bears a net charge (-64.000000e) and the
QEq calculation cannot be performed.
This periodic system bears a net charge (-64.000000e) and the
QEq calculation cannot be performed.
Unable to calculate energy and gradients.?
Geometry optimization finished with an error condition.

@oxox6085 ·¢×ÔСľ³æAndroid¿Í»§¶Ë
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ƤƤ·¬ÇÑ

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by ĪÂä at 2021-07-07 08:20:45
°Ñ×ܵçºÉ¹éÁã

ÄãºÃ£¬ÎÒÏëÎÊÏÂÔõô°Ñ×ܵçºÉ¹éÁã

·¢×ÔСľ³æAndroid¿Í»§¶Ë
7Â¥2022-04-05 10:06:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

ĪÂä

ľ³æ (ÕýʽдÊÖ)

2Â¥2021-07-07 08:20:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¹ùͬѧ

½ð³æ (ÖøÃûдÊÖ)

3Â¥2021-07-15 08:03:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shenmlajed

Ìú³æ (³õÈëÎÄ̳)

ÇëÎÊÄãµÄÃÉÍÑʯµÄcifÎļþ»¹ÓÐÂð
4Â¥2021-08-19 14:02:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²»Ó¦Öú È·¶¨»ØÌûÓ¦Öú (×¢Ò⣺ӦÖú²Å¿ÉÄܱ»½±Àø£¬µ«²»ÔÊÐí¹àË®£¬±ØÐëÌîд15¸ö×Ö·ûÒÔÉÏ)
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯¹¤282Çóµ÷¼ÁÒ»Ö¾Ô¸211 +5 NA0912 2026-03-05 6/300 2026-03-05 20:10 by 2735147993
[¿¼ÑÐ] 282Çóµ÷¼Á +6 Ϧ¡«ÈÕ 2026-03-05 7/350 2026-03-05 19:53 by wangjihu
[¿¼ÑÐ] 304Çóµ÷¼Á +4 ÂüÊâ2266 2026-03-05 4/200 2026-03-05 17:10 by zhukairuo
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«±±´óѧ080500£¬Ó¢Ò»Êý¶þ343·ÖÇóµ÷¼Á +5 Seele_v5 2026-03-04 5/250 2026-03-05 13:26 by Iveryant
[¿¼ÑÐ] 085701»·¾³¹¤³Ì Çóµ÷¼Á +7 xiiiia 2026-03-04 7/350 2026-03-05 09:49 by ÈÈÇéɳĮ
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©´óѧ×ÊÔ´Óë»·¾³×¨Òµ283·ÖÇóµ÷¼Á +3 ×·ÔÆ?? 2026-03-04 3/150 2026-03-05 09:47 by ÈÈÇéɳĮ
[¿¼ÑÐ] ²ÄÁÏ328Çóµ÷¼Á +10 Ò»¸öÂܲ·02 2026-03-03 10/500 2026-03-05 09:31 by oxidpl
[¿¼ÑÐ] 0703»¯Ñ§ ѧ˶ Àí¹¤¿Æ¾ù¿É ²»Çø·ÖÑо¿·½Ïò ×Ü·Ö279Çóµ÷¼Á +7 1Ò»11 2026-03-03 7/350 2026-03-05 09:23 by xwxstudy
[¿¼ÑÐ] 0856²ÄÁÏר˶274Äܵ÷¼ÁÈ¥ÄÄÀ +3 22735 2026-03-04 4/200 2026-03-05 09:06 by Õ¶»êµÎÍÃ×Ó£¡
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¬291·Ö£¬Çóµ÷¼Á +9 ¹¾à๾àà123123 2026-03-04 11/550 2026-03-05 09:03 by Õ¶»êµÎÍÃ×Ó£¡
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó080500×Ü·Ö324Çóµ÷¼Á +3 jorna 2026-03-03 6/300 2026-03-04 16:20 by »¨¿ª¸»¹óÐÒ¸£ÈËÉ
[¿¼ÑÐ] 264Çóµ÷¼Á +3 thext 2026-03-03 3/150 2026-03-04 09:29 by ÈÈÇéɳĮ
[¿¼ÑÐ] 291Çóµ÷¼Á +4 Afy123456 2026-03-03 7/350 2026-03-03 22:29 by barlinike
[¿¼ÑÐ] 298Çóµ÷¼ÁÒ»Ö¾Ô¸Öк£Ñó +3 lour. 2026-03-03 3/150 2026-03-03 20:41 by gxg2025
[ÂÛÎÄͶ¸å] ͨѶ×÷Õßд˭£¬ÎÊÌâÊÇÄãÒâÏë²»µ½µÄÎÊÌâ 15+3 °¢¶û·¨°¡ 2026-03-01 3/150 2026-03-03 09:13 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 0856µ÷¼Á +10 ÁõÃÎ΢ 2026-02-28 10/500 2026-03-02 23:42 by hcy618
[¿¼ÑÐ] ²ÄÁÏ085601µ÷¼Á +5 ¶à¶à×Ó. 2026-03-02 5/250 2026-03-02 19:15 by zhukairuo
[¿¼ÑÐ] 303Çóµ÷¼Á +5 ½ñÏIJ»ÏÄ 2026-03-01 5/250 2026-03-02 15:01 by ÏòÉϵÄÅÖ¶«
[¿¼ÑÐ] ²ÄÁÏѧµ÷¼Á +10 ÌáÉñ¶¹É³°ü 2026-02-28 12/600 2026-03-02 09:26 by ÀîÀÏʦ£¡
[¿¼ÑÐ] 304Çóµ÷¼Á +3 52hz~~ 2026-02-28 5/250 2026-03-01 00:00 by 52hz~~
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û