L301,EOF while reading ECP pointer card.C -1.21995 2.13345 0. End of file in ZSymb. Error termination via Lnk1e in l101.exe 复制代码 End of file reading basis center. Error termination via Lnk1e in /home/gauuser/g09/l301.exe at Wed Mar 1 20:50:57 2017.复制代码 ...
· L301,End of file reading basis center. · L301,EOF while reading ECP pointer card. · L301,No solvent atoms in DisRep. · L301,Atomic number out of range for XXX basis set. · L301,R6DS8: Unable to choose the S8 parameter
▶️L101,End of file in ZSymb. ⏳ ▶️L301,End of file reading basis center. ⏳ ▶️L301,EOF while reading ECP pointer card. ⏳ C -1.21995 2.13345 0. End of file in ZSymb. Error termination via Lnk1e in l101.exe End of file reading basis center. Error termination via ...
out后面写得是：General basis read from cards: (5D,7F)End of file reading basis center.Error ...
There are 22 symmetry adapted basis functions of A1 symmetry.There are 2 symmetry adapted...
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0 Which type of basin to use to partition the density isosurface. Default is 4. 1 GradVne. 2 GradRho. 3 Don’t Use Basins, Use only the Center of Nuclear Charge. 4 Use Interlocking Spheres. N0 Order of Adam’s-Bashforth-Moulton (ABM) predictor-corrector method to use in solving ...
This comes about through integrating out the parameters of the model, ww. We can basically put anything inside the basis functions, and many people do. These can be deep kernels (Cho and Saul, 2009) or we can learn the parameters of a convolutional neural network inside there. Viewing a ...
In order to obtain Wiberg Indexes in your input you have to use the BNDIDX keyword in the $NBO section at the end of your input file.I don’t know of any tutorial about reading Wiberg bond indexes in Gaussian outputs, except for the NBO manual which I think you can consult directly ...
Zero-center the wavetable. Normalize the loudness of the wavetable according to db(B) If a sample in the wavetable exceeds the range [−1, +1], then repeat from step 1. Use the wavetable for classical wavetable synthesis. 3.2. Generating Shaping Functions with GPs In waveshaping synthesis...