Problem with the distance matrix. Error termination via Lnk1e in C:\G09W\l202.exe at Wed Jan 16 20:33:11 2019. 复制代码成因:有至少两个原子间距离太近,很有可能距离是0。例如上述的报错中的一串数字写明了是:6号原子和1号原子之间太近,7号和2号太近,8号和3号太近,etc ...
Problem with the distance matrix. Error termination via Lnk1e in C:\G09W\l202.exe at Wed Jan 16 20:33:11 2019. 复制代码成因:有至少两个原子间距离太近,很有可能距离是0。例如上述的报错中的一串数字写明了是:6号原子和1号原子之间太近,7号和2号太近,8号和3号太近,etc ...
The SCF is confused. Error termination via Lnk1e in /global/apps/gaussian/g03.e01/g03/linda-exe/l502.exelSolution: Problem with DIIS. Turn it off completely, e.g. using SCF=qc, or partly by using SCF=(maxconventionalcycles=N,xqc), where N is the number of steps DIIS should be used...
我在用oniom优化一个分子筛晶体结构的时候，计算终止并提示Problem with the distance matrix. 有一部分...
▶️L202,Problem with the distance matrix. ⏳ Small interatomic distances encountered: 6 1 7 2 8 3 9 4 10 5 Problem with the distance matrix. Error termination via Lnk1e in C:\G09W\l202.exe at Wed Jan 16 20:33:11 2019. ...
Form the distance matrix for use in a Gaussian ProcessAlex Lenkoski
Hence, we need to prove the security when the eavesdroppers develop inter-use correlations, i.e., when they apply a coherent attack. Our solution is to tackle this problem by reducing the Gaussian quantum network security to that of one-way protocols, for which optimality of collective ...
, and the problem (I assume) is that this is a transposed square root. Using a symmetric squre root, meaning a matrix square rootSsuch that might just solve your problem. I use the below code with no problems. function[dist] = GW_dist(mu_1, cov_1, mu_2, cov_2) ...
In this paper, we consider the convergence of Gaussian BP, focusing in particular on the convergence of the information matrix. We show analytically that the exchanged message information matrix converges for arbitrary positive semidefinite initial value, and its distance to the unique positive definite...
Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess.HarFok: I...