Matter Modeling
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Xdrake
  • Member for 8 months
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12 Questions

Score Activity Newest Views
6 votes
2 answers
680 views

Can someone guide me on how to get the k-point file for a VASP simulation?

6 votes
0 answers
73 views

Is there a way to set the spin multiplicity in a VASP calculation?

4 votes
1 answer
208 views

VASP with VDW dispersion corrections for a large system

4 votes
1 answer
101 views

Can CP2K be used for slab calculations?

3 votes
0 answers
45 views

How to add a first solvation shell in a simulation

3 votes
1 answer
55 views

Potential Energy curve for CO2 and a surface

3 votes
1 answer
57 views

Is there a way to minimize the finite size effects in VASP calculations?

3 votes
1 answer
44 views

Creating a beta cristobalite with 200 or fewer atoms

2 votes
0 answers
22 views

AIMD simulation of a silica slab and a electrolyte placed in the vacuum region

2 votes
0 answers
40 views

Relaxation of a system with a different Forcefield

2 votes
0 answers
47 views

VASP jobs crashing - VASP 5.4.4

1 vote
0 answers
41 views

How to define a mesoporous material in VASP (introducing the vacuum gap)

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