Znn3bq.jpeg
²é¿´: 774  |  »Ø¸´: 4
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

tengqf

ľ³æ (СÓÐÃûÆø)

[½»Á÷] [ÇóÖú]Error termination in NtrErr: NtrErr Called from FileIO.ÊÇʲô´íÎó£¿

½ñÌìÔÚÓÃGauss03½øÐÐopt+freq
¼ÆËãµÄʱºò×ÜÊdzöÏÖ£º
Error termination in NtrErr:
NtrErr Called from FileIO.
Ô­À´ÓÃDFTËãµÄʱºòÓÐÏàͬµÄchkÎļþ£¬ÎÒÒÆ×ßÒÔºó»¹ÊdzöÏÖÕâ¸öÎÊÌ⣬ÕâÊÇÔõô»ØÊ°¡£¿

[ Last edited by tengqf on 2008-4-17 at 11:06 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tengqf

ľ³æ (СÓÐÃûÆø)

ÔÚGauss³ÌÐò×îºó³öÏÖµÄÊÇÕâÒ»¾äEnd of Minotr Frequency-dependent properties file   721 does not exist.
ÕâÊÇʲôÇé¿ö°¡£¿
4Â¥2008-04-17 11:00:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

zyy816

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÓÃʲô·½·¨µÄ°¡£¬Ìù³öÀ´·½·¨

×ö¼¤·¢Ì¬£¬QCISDÖ®ÀàµÄ£¬ÈÝÒ׳öÏÖ´ÅÅ̿ռ䲻¹»£¬¾Í³öÏÖÀàËÆÎÊÌâ¡£
2Â¥2008-04-17 10:45:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tengqf

ľ³æ (СÓÐÃûÆø)

ÎÒÓõÄÊÇUMP2/6-31+G(d)
¿Õ¼ä»á²»¹»Âð£¿
3Â¥2008-04-17 10:52:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

huahua1981

Í­³æ (СÓÐÃûÆø)

²»ÊÇ´ÅÅ̲»¹» ÄãÓ¦¸Ã°Ñ³ö´íµÄ±àºÅ·¢ÉÏÀ´
5Â¥2008-04-17 11:10:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] һ־Ը˫·Ç085400µç×ÓÐÅÏ¢344 Çóµ÷¼Á£¬¶Ô²ÄÁϺͻ¯Ñ§·½ÏòÒ²¸ÐÐËȤ +7 ÎÞÇéµÄСÑò 2026-04-09 8/400 2026-04-09 21:22 by wwwbobobo
[¿¼ÑÐ] ¼ÆËã»ú11408£¬286·ÖÇóµ÷¼Á +9 ľ×ÓÄî•„ 2026-04-05 9/450 2026-04-09 20:04 by vgtyfty
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó070300»¯Ñ§£¬314·ÖÇóµ÷¼Á +11 wakeluofu 2026-04-09 11/550 2026-04-09 18:03 by lijunpoly
[¿¼ÑÐ] ²ÄÁϹ¤³Ì085601£¬270Çóµ÷¼Á +26 @ASDF1234 2026-04-08 28/1400 2026-04-09 15:47 by wp06
[¿¼ÑÐ] 22408 270·Ö +9 sanjin020722 2026-04-08 10/500 2026-04-09 14:11 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] ²ÄÁÏר˶322 +14 ¹þ¹þ¹þºðºðºð¹þ 2026-04-05 14/700 2026-04-09 13:25 by 5268321
[¿¼ÑÐ] 320·ÖÈ˹¤ÖÇÄܵ÷¼Á +9 Õñ¡ªTZ 2026-04-03 10/500 2026-04-08 19:56 by Õñ¡ªTZ
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +10 ŬÁ¦·Ü¶·112 2026-04-07 10/500 2026-04-08 15:01 by screening
[¿¼ÑÐ] 301Çóµ÷¼Á +10 ϸ°ûÏà¹Øµ°°× 2026-04-03 10/500 2026-04-08 10:36 by tjzhao
[¿¼ÑÐ] 305Çóµ÷¼Á +4 77Qi 2026-04-06 4/200 2026-04-07 20:06 by shanqishi
[¿¼ÑÐ] 081700»¯Ñ§¹¤³ÌÓë¼¼Êõ Ò»Ö¾Ô¸Öк£Ñó 323 Çóµ÷¼ÁѧУ +19 ÅûÐÇºÓ 2026-04-03 19/950 2026-04-07 15:14 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁϹ¤³Ì£¨085601£©×¨Ë¶ÓпÆÑо­ÀúÈýÏî¹ú½±Á½¸öʵÓÃÐÍרÀûÒ»ÏîÊ¡¼¶Á¢Ïî +11 ´ó»ðɽС»ðɽ 2026-04-05 11/550 2026-04-06 22:55 by yunlongyang
[¿¼ÑÐ] 0817»¯Ñ§¹¤³ÌÓë¼¼ÊõÇóµ÷¼Á£¬Ò»Ö¾Ô¸Öк£Ñó319 +14 lv945 2026-04-04 14/700 2026-04-06 10:20 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»274»úеµ÷¼Á +5 ÐÇÔÉÁ÷ϼ 2026-04-04 6/300 2026-04-05 11:38 by arrow8852
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-03 4/200 2026-04-04 22:17 by hemengdong
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 15615482637 2026-04-03 3/150 2026-04-03 22:50 by ms629
[¿¼ÑÐ] 322Çóµ÷¼Á +4 FZAC123 2026-04-03 4/200 2026-04-03 20:55 by zhq0425
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û