| 查看: 4851 | 回复: 1 | ||
[求助]
gaussian计算End of G2Drv F.D. properties file 721 does not exist.
|
|
求助大神 gauss小白 在运行中出现 End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. 然后就不行了 网上搜过有大神说应该是应该是硬盘空间不足，我设置maxdisk=4GB，20GB都不行 把C,H,N,的p极化函数取消也不行，求怎么解决？感激 %chk=D:\g09w\SbPcDZC4v2GB.chk # opt=calcfc ub3lyp/genecp guess=save pop=(nbo,savenbo) geom=connectivity SbPcDZC4v 0 2 Sb 0.00000000 0.00000000 0.65371429 H 5.57835207 1.95197899 -0.12628571 C -4.11916182 5.11323468 -0.12628571 C -1.16105384 -2.73754599 -0.12628571 C 4.78115072 -2.76674279 -0.12628571 C -3.42807976 2.43586011 -0.12628571 C 2.76674279 4.78115072 -0.12628571 C 1.16105384 2.73754599 -0.12628571 C -2.76674279 -4.78115072 -0.12628571 C 4.11916182 5.11323468 -0.12628571 C -4.78115072 -2.76674279 -0.12628571 N -1.36893781 -1.36893781 -0.12628571 C 2.43586011 -3.42807976 -0.12628571 H 6.21016406 4.42892309 -0.12628571 C -2.73754599 -1.16105384 -0.12628571 H -6.21016406 -4.42892309 -0.12628571 C -5.11323468 -4.11916182 -0.12628571 H -5.57835207 1.95197899 -0.12628571 H -1.95197899 -5.57835207 -0.12628571 C -5.11323468 4.11916182 -0.12628571 C 5.11323468 -4.11916182 -0.12628571 H 6.21016406 -4.42892309 -0.12628571 H 1.95197899 5.57835207 -0.12628571 N 1.36893781 -1.36893781 -0.12628571 C -4.78115072 2.76674279 -0.12628571 C 3.42807976 2.43586011 -0.12628571 N -3.37969544 0.00000000 -0.12628571 H -1.95197899 5.57835207 -0.12628571 N 0.00000000 -3.37969544 -0.12628571 C -2.73754599 1.16105384 -0.12628571 N -1.36893781 1.36893781 -0.12628571 C -4.11916182 -5.11323468 -0.12628571 C 2.76674279 -4.78115072 -0.12628571 N 1.36893781 1.36893781 -0.12628571 C 2.73754599 1.16105384 -0.12628571 C -1.16105384 2.73754599 -0.12628571 C 4.11916182 -5.11323468 -0.12628571 H 4.42892309 6.21016406 -0.12628571 C -2.43586011 -3.42807976 -0.12628571 H 1.95197899 -5.57835207 -0.12628571 N 0.00000000 3.37969544 -0.12628571 H -4.42892309 6.21016406 -0.12628571 H -5.57835207 -1.95197899 -0.12628571 N 3.37969544 0.00000000 -0.12628571 C 3.42807976 -2.43586011 -0.12628571 C 5.11323468 4.11916182 -0.12628571 H 4.42892309 -6.21016406 -0.12628571 C -3.42807976 -2.43586011 -0.12628571 C -2.43586011 3.42807976 -0.12628571 H -4.42892309 -6.21016406 -0.12628571 C -2.76674279 4.78115072 -0.12628571 H 5.57835207 -1.95197899 -0.12628571 C 1.16105384 -2.73754599 -0.12628571 H -6.21016406 4.42892309 -0.12628571 C 2.73754599 -1.16105384 -0.12628571 C 4.78115072 2.76674279 -0.12628571 C 2.43586011 3.42807976 -0.12628571 1 34 1.0 31 1.0 12 1.0 24 1.0 2 56 1.0 3 42 1.0 51 2.0 20 1.0 4 39 1.0 12 1.0 29 2.0 5 21 2.0 52 1.0 45 1.0 6 25 1.0 49 2.0 30 1.0 7 57 2.0 10 1.0 23 1.0 8 34 1.0 41 2.0 57 1.0 9 19 1.0 39 2.0 32 1.0 10 46 2.0 38 1.0 11 43 1.0 48 2.0 17 1.0 12 15 2.0 13 53 1.0 45 2.0 33 1.0 14 46 1.0 15 27 1.0 48 1.0 16 17 1.0 17 32 2.0 18 25 1.0 19 20 54 1.0 25 2.0 21 37 1.0 22 1.0 22 23 24 55 1.0 53 2.0 25 26 35 1.0 56 2.0 57 1.0 27 30 2.0 28 51 1.0 29 53 1.0 30 31 1.0 31 36 2.0 32 50 1.0 33 37 2.0 40 1.0 34 35 2.0 35 44 1.0 36 49 1.0 41 1.0 37 47 1.0 38 39 48 1.0 40 41 42 43 44 55 2.0 45 55 1.0 46 56 1.0 47 48 49 51 1.0 50 51 52 53 54 55 56 57 Sb 0 Lanl2DZ **** Sb 0 P 1 1.00 0.0220000 1.0000000 D 1 1.00 0.2070000 1.0000000 **** H C N 0 6-31+G(d,p) **** Sb 0 Lanl2DZ |
回复此楼» 猜你喜欢
【急招】合肥工大核聚变材料计算方向2026级工程博士生
已经有4人回复
-
大豆异黄酮分离
已经有0人回复
-
物理学I论文润色/翻译怎么收费?
已经有148人回复
-
湖南大学材料学院急招2026年博士生，临时增加一名博士联培指标
已经有10人回复
-
天津理工大学晶体材料全国重点实验室刘红军教授课题组招收博士生1-2名
已经有1人回复
-
中国科学院物理研究所谌志国研究员团队招收2027年博士研究生
已经有4人回复
-
2026年中德博士后交流项目 - 新型量子和磁性材料：材料制备表征和中子散射研究
已经有12人回复
-
26申博推荐：南京航空航天大学国际前沿院光学方向招收博士生！
已经有1人回复
2楼2019-09-29 14:56:39