Matter Modeling
Aritra Mukhopadhyaya's user avatar
Aritra Mukhopadhyaya's user avatar
Aritra Mukhopadhyaya's user avatar
Aritra Mukhopadhyaya
  • Member for 3 years, 4 months
  • Last seen more than a week ago
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All Questions Answers
Score Newest
question
14
What is the impact of the orientation of a molecule in cartesian coordinates to molecular properties?
May 28, 2020
question
9
Incorporation of empty d-electrons of a p-block element in calculations in VASP?
Aug 27, 2020
answer
7
How to extract lattice constants a and c from relaxed hexagonal structure using VASP?
Jul 31, 2020
question
2
How to choose the number of roots in a CASSCF calculation?
Jan 20
question
1
How to obtain the expectation values of spin operators in ORCA
Feb 2

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