Matter Modeling
Paul Logan's user avatar
Paul Logan's user avatar
Paul Logan's user avatar
Paul Logan
  • Member for 2 years, 7 months
  • Last seen more than a month ago
  • Germany
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All Questions Answers
Score Newest
question
12
Increasing k-point grid to take DOS calculation
May 25, 2021
question
11
CCSD and CISD size-consistency problem
Apr 11, 2021
question
10
Energy cut-off test meaning in atomic-like basis functions' DFT
Jun 13, 2021
question
8
Limits of periodic box from pdb
Mar 24, 2022
question
7
Frequency error in Gaussian CASSCF(10,10)
Oct 27, 2021
question
7
Does QC convergence mode in Gaussian make a difference?
Nov 17, 2021
question
6
Transition dipole moment derivative TURBOMOLE [closed]
Jan 23, 2022
question
5
Modify ORCA orbitals for CASSCF
Oct 26, 2021
question
5
How to modify Gaussian Z-matrix to adjust distances between monomers
Jun 15, 2022
question
4
Periodic boundary conditions or spherical potential? [closed]
Apr 7, 2022

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