Material:

Y(MnS2)2

ID:

MMD-3086

Explore database:

Compounds with the same formula: Y(MnS2)2 (2 entries found)
Compounds with the same elements: Y-Mn-S (4 entries found)
Navigation:
Space group | Lattice parameters | Thermodynamic properties | Phase diagram | Magnetic properties | Atomic positions and site-specific magnetic data | Pair-wise magnetic data | Methods | References

Space group:

Crystal system

orthorhombic

Space group number

74

Hermann-Mauguin

Imma

Hall

-I 2b 2

Point group

mmm

Structure data:

Normalized formula

Y(MnS2)2

The number of formula units per unit cell

4

The total number of atoms per unit cell

28

The number of inequivalent sites per unit cell

5

Structure search

MP

Lattice parameters:

a (Å)

7.5217

b (Å)

7.6886

c (Å)

10.5341

α (deg.)

90.000

β (deg.)

90.000

γ (deg.)

90.000

Volume (Å3)

609.200

Density (g/cm3)

3.566

Crystal structure visualization:

Thermodynamic properties:

DFT calculations (details)

Formation energy (vs. elemental phases)

-1047.6 meV/atom

Formation energy above hull

Phase diagram:

Phase diagram
The convex hull is temporarily not available while we perform maintenance.

Related structures:

Compounds with the same formula: Y(MnS2)2

2 entries found

Compounds with the same elements: Y-Mn-S

4 entries found

Binary compounds in Y-Mn system

3 entries found

Binary compounds in Y-S system

No entries found

Binary compounds in Mn-S system

12 entries found

Magnetic properties:

DFT calculations (details)

Magnetic ordering

Ferromagnetic

Total magnetic moment

36.00 μB/cell

Averaged magnetic moment

1.29 μB/atom

Magnetic polarization, Js = μ0Ms

0.69 T (= 549.1 emu/cm3)
LMTO-GF calculations (details)

Curie temperature, TC

DFT calculations (details)

Magnetic easy axis

Magnetic hardness parameter, κ

Atomic positions (fractional coordinates) and site-specific magnetic data:

index species w x y z m (μB) Esoc100 (meV) Esoc001 (meV)
1 Y 4b 0.500000 0.000000 0.000000 0.05 . .
2 Y 4b 0.000000 0.000000 0.500000 0.05 . .
3 Y 4b 0.000000 0.500000 0.500000 0.05 . .
4 Y 4b 0.500000 0.500000 0.000000 0.05 . .
5 Mn 4e 0.000000 0.250000 0.129639 4.03 . .
6 Mn 4e 0.500000 0.250000 0.370361 4.03 . .
7 Mn 4e 0.750000 0.250000 0.750000 3.75 . .
8 Mn 4e 0.250000 0.250000 0.750000 3.75 . .
9 Mn 4d 0.500000 0.750000 0.629639 4.03 . .
10 Mn 4d 0.000000 0.750000 0.870361 4.03 . .
11 Mn 4d 0.250000 0.750000 0.250000 3.75 . .
12 Mn 4d 0.750000 0.750000 0.250000 3.75 . .
13 S 8h 0.500000 0.526103 0.257545 0.03 . .
14 S 8h 0.500000 0.973897 0.257545 0.03 . .
15 S 8h 0.251435 0.250000 0.513977 0.03 . .
16 S 8h 0.000000 0.973897 0.242455 0.03 . .
17 S 8h 0.751435 0.250000 0.986023 0.03 . .
18 S 8h 0.000000 0.526103 0.242455 0.03 . .
19 S 8h 0.748565 0.250000 0.513977 0.03 . .
20 S 8h 0.248565 0.250000 0.986023 0.03 . .
21 S 8i 0.000000 0.026103 0.757545 0.03 . .
22 S 8i 0.000000 0.473897 0.757545 0.03 . .
23 S 8i 0.751435 0.750000 0.013977 0.03 . .
24 S 8i 0.500000 0.473897 0.742455 0.03 . .
25 S 8i 0.251435 0.750000 0.486023 0.03 . .
26 S 8i 0.500000 0.026103 0.742455 0.03 . .
27 S 8i 0.248565 0.750000 0.013977 0.03 . .
28 S 8i 0.748565 0.750000 0.486023 0.03 . .
w: site multiplicity (the number of equivalent positions) and Wyckoff letter (a label for site symmetry)
m: local magnetic moment
Esoc100 (001): Spin-orbit coupling energy for the magnetization oriented along the crystallographic a (c) axis
(Individual Esoc values are temporarily not available while we perform maintenance.)
Terms and conditions

Site-resolved magnetic moments:

Local magnetic moments

Pair-wise magnetic data:

site i site j distance (Å) Jij (meV)
1 Y 4b 2 Y 4b 6.47 .
1 Y 4b 3 Y 4b 7.53 .
1 Y 4b 4 Y 4b 3.84 .
1 Y 4b 5 Mn 4e 4.44 .
1 Y 4b 6 Mn 4e 4.35 .
1 Y 4b 7 Mn 4e 3.76 .
1 Y 4b 8 Mn 4e 3.76 .
1 Y 4b 9 Mn 4d 4.35 .
1 Y 4b 10 Mn 4d 4.44 .
1 Y 4b 11 Mn 4d 3.76 .
1 Y 4b 12 Mn 4d 3.76 .
1 Y 4b 13 S 8h 4.54 .
1 Y 4b 14 S 8h 2.72 .
1 Y 4b 15 S 8h 5.78 .
1 Y 4b 16 S 8h 4.55 .
1 Y 4b 17 S 8h 2.70 .
1 Y 4b 18 S 8h 5.83 .
1 Y 4b 19 S 8h 5.78 .
1 Y 4b 20 S 8h 2.70 .
1 Y 4b 21 S 8i 4.55 .
1 Y 4b 22 S 8i 5.83 .
1 Y 4b 23 S 8i 2.70 .
1 Y 4b 24 S 8i 4.54 .
1 Y 4b 25 S 8i 5.78 .
1 Y 4b 26 S 8i 2.72 .
1 Y 4b 27 S 8i 2.70 .
1 Y 4b 28 S 8i 5.78 .
2 Y 4b 3 Y 4b 3.84 .
2 Y 4b 4 Y 4b 7.53 .
2 Y 4b 5 Mn 4e 4.35 .
2 Y 4b 6 Mn 4e 4.44 .
2 Y 4b 7 Mn 4e 3.76 .
2 Y 4b 8 Mn 4e 3.76 .
2 Y 4b 9 Mn 4d 4.44 .
2 Y 4b 10 Mn 4d 4.35 .
2 Y 4b 11 Mn 4d 3.76 .
2 Y 4b 12 Mn 4d 3.76 .
2 Y 4b 13 S 8h 5.83 .
2 Y 4b 14 S 8h 4.55 .
2 Y 4b 15 S 8h 2.70 .
2 Y 4b 16 S 8h 2.72 .
2 Y 4b 17 S 8h 5.78 .
2 Y 4b 18 S 8h 4.54 .
2 Y 4b 19 S 8h 2.70 .
2 Y 4b 20 S 8h 5.78 .
2 Y 4b 21 S 8i 2.72 .
2 Y 4b 22 S 8i 4.54 .
2 Y 4b 23 S 8i 5.78 .
2 Y 4b 24 S 8i 5.83 .
2 Y 4b 25 S 8i 2.70 .
2 Y 4b 26 S 8i 4.55 .
2 Y 4b 27 S 8i 5.78 .
2 Y 4b 28 S 8i 2.70 .
3 Y 4b 4 Y 4b 6.47 .
3 Y 4b 5 Mn 4e 4.35 .
3 Y 4b 6 Mn 4e 4.44 .
3 Y 4b 7 Mn 4e 3.76 .
3 Y 4b 8 Mn 4e 3.76 .
3 Y 4b 9 Mn 4d 4.44 .
3 Y 4b 10 Mn 4d 4.35 .
3 Y 4b 11 Mn 4d 3.76 .
3 Y 4b 12 Mn 4d 3.76 .
3 Y 4b 13 S 8h 4.55 .
3 Y 4b 14 S 8h 5.83 .
3 Y 4b 15 S 8h 2.70 .
3 Y 4b 16 S 8h 4.54 .
3 Y 4b 17 S 8h 5.78 .
3 Y 4b 18 S 8h 2.72 .
3 Y 4b 19 S 8h 2.70 .
3 Y 4b 20 S 8h 5.78 .
3 Y 4b 21 S 8i 4.54 .
3 Y 4b 22 S 8i 2.72 .
3 Y 4b 23 S 8i 5.78 .
3 Y 4b 24 S 8i 4.55 .
3 Y 4b 25 S 8i 2.70 .
3 Y 4b 26 S 8i 5.83 .
3 Y 4b 27 S 8i 5.78 .
3 Y 4b 28 S 8i 2.70 .
4 Y 4b 5 Mn 4e 4.44 .
4 Y 4b 6 Mn 4e 4.35 .
4 Y 4b 7 Mn 4e 3.76 .
4 Y 4b 8 Mn 4e 3.76 .
4 Y 4b 9 Mn 4d 4.35 .
4 Y 4b 10 Mn 4d 4.44 .
4 Y 4b 11 Mn 4d 3.76 .
4 Y 4b 12 Mn 4d 3.76 .
4 Y 4b 13 S 8h 2.72 .
4 Y 4b 14 S 8h 4.54 .
4 Y 4b 15 S 8h 5.78 .
4 Y 4b 16 S 8h 5.83 .
4 Y 4b 17 S 8h 2.70 .
4 Y 4b 18 S 8h 4.55 .
4 Y 4b 19 S 8h 5.78 .
4 Y 4b 20 S 8h 2.70 .
4 Y 4b 21 S 8i 5.83 .
4 Y 4b 22 S 8i 4.55 .
4 Y 4b 23 S 8i 2.70 .
4 Y 4b 24 S 8i 2.72 .
4 Y 4b 25 S 8i 5.78 .
4 Y 4b 26 S 8i 4.54 .
4 Y 4b 27 S 8i 2.70 .
4 Y 4b 28 S 8i 5.78 .
5 Mn 4e 6 Mn 4e 4.54 .
5 Mn 4e 7 Mn 4e 4.42 .
5 Mn 4e 8 Mn 4e 4.42 .
5 Mn 4e 9 Mn 4d 7.53 .
5 Mn 4e 10 Mn 4d 4.72 .
5 Mn 4e 11 Mn 4d 4.46 .
5 Mn 4e 12 Mn 4d 4.46 .
5 Mn 4e 13 S 8h 4.52 .
5 Mn 4e 14 S 8h 4.52 .
5 Mn 4e 15 S 8h 4.47 .
5 Mn 4e 16 S 8h 2.43 .
5 Mn 4e 17 S 8h 2.41 .
5 Mn 4e 18 S 8h 2.43 .
5 Mn 4e 19 S 8h 4.47 .
5 Mn 4e 20 S 8h 2.41 .
5 Mn 4e 21 S 8i 4.28 .
5 Mn 4e 22 S 8i 4.28 .
5 Mn 4e 23 S 8i 4.45 .
5 Mn 4e 24 S 8i 5.81 .
5 Mn 4e 25 S 8i 5.70 .
5 Mn 4e 26 S 8i 5.81 .
5 Mn 4e 27 S 8i 4.45 .
5 Mn 4e 28 S 8i 5.70 .
6 Mn 4e 7 Mn 4e 4.42 .
6 Mn 4e 8 Mn 4e 4.42 .
6 Mn 4e 9 Mn 4d 4.72 .
6 Mn 4e 10 Mn 4d 7.53 .
6 Mn 4e 11 Mn 4d 4.46 .
6 Mn 4e 12 Mn 4d 4.46 .
6 Mn 4e 13 S 8h 2.43 .
6 Mn 4e 14 S 8h 2.43 .
6 Mn 4e 15 S 8h 2.41 .
6 Mn 4e 16 S 8h 4.52 .
6 Mn 4e 17 S 8h 4.47 .
6 Mn 4e 18 S 8h 4.52 .
6 Mn 4e 19 S 8h 2.41 .
6 Mn 4e 20 S 8h 4.47 .
6 Mn 4e 21 S 8i 5.81 .
6 Mn 4e 22 S 8i 5.81 .
6 Mn 4e 23 S 8i 5.70 .
6 Mn 4e 24 S 8i 4.28 .
6 Mn 4e 25 S 8i 4.45 .
6 Mn 4e 26 S 8i 4.28 .
6 Mn 4e 27 S 8i 5.70 .
6 Mn 4e 28 S 8i 4.45 .
7 Mn 4e 8 Mn 4e 3.76 .
7 Mn 4e 9 Mn 4d 4.46 .
7 Mn 4e 10 Mn 4d 4.46 .
7 Mn 4e 11 Mn 4d 7.53 .
7 Mn 4e 12 Mn 4d 6.52 .
7 Mn 4e 13 S 8h 5.91 .
7 Mn 4e 14 S 8h 5.91 .
7 Mn 4e 15 S 8h 4.50 .
7 Mn 4e 16 S 8h 5.91 .
7 Mn 4e 17 S 8h 2.49 .
7 Mn 4e 18 S 8h 5.91 .
7 Mn 4e 19 S 8h 2.49 .
7 Mn 4e 20 S 8h 4.50 .
7 Mn 4e 21 S 8i 2.55 .
7 Mn 4e 22 S 8i 2.55 .
7 Mn 4e 23 S 8i 4.74 .
7 Mn 4e 24 S 8i 2.55 .
7 Mn 4e 25 S 8i 6.05 .
7 Mn 4e 26 S 8i 2.55 .
7 Mn 4e 27 S 8i 6.05 .
7 Mn 4e 28 S 8i 4.74 .
8 Mn 4e 9 Mn 4d 4.46 .
8 Mn 4e 10 Mn 4d 4.46 .
8 Mn 4e 11 Mn 4d 6.52 .
8 Mn 4e 12 Mn 4d 7.53 .
8 Mn 4e 13 S 8h 5.91 .
8 Mn 4e 14 S 8h 5.91 .
8 Mn 4e 15 S 8h 2.49 .
8 Mn 4e 16 S 8h 5.91 .
8 Mn 4e 17 S 8h 4.50 .
8 Mn 4e 18 S 8h 5.91 .
8 Mn 4e 19 S 8h 4.50 .
8 Mn 4e 20 S 8h 2.49 .
8 Mn 4e 21 S 8i 2.55 .
8 Mn 4e 22 S 8i 2.55 .
8 Mn 4e 23 S 8i 6.05 .
8 Mn 4e 24 S 8i 2.55 .
8 Mn 4e 25 S 8i 4.74 .
8 Mn 4e 26 S 8i 2.55 .
8 Mn 4e 27 S 8i 4.74 .
8 Mn 4e 28 S 8i 6.05 .
9 Mn 4d 10 Mn 4d 4.54 .
9 Mn 4d 11 Mn 4d 4.42 .
9 Mn 4d 12 Mn 4d 4.42 .
9 Mn 4d 13 S 8h 4.28 .
9 Mn 4d 14 S 8h 4.28 .
9 Mn 4d 15 S 8h 4.45 .
9 Mn 4d 16 S 8h 5.81 .
9 Mn 4d 17 S 8h 5.70 .
9 Mn 4d 18 S 8h 5.81 .
9 Mn 4d 19 S 8h 4.45 .
9 Mn 4d 20 S 8h 5.70 .
9 Mn 4d 21 S 8i 4.52 .
9 Mn 4d 22 S 8i 4.52 .
9 Mn 4d 23 S 8i 4.47 .
9 Mn 4d 24 S 8i 2.43 .
9 Mn 4d 25 S 8i 2.41 .
9 Mn 4d 26 S 8i 2.43 .
9 Mn 4d 27 S 8i 4.47 .
9 Mn 4d 28 S 8i 2.41 .
10 Mn 4d 11 Mn 4d 4.42 .
10 Mn 4d 12 Mn 4d 4.42 .
10 Mn 4d 13 S 8h 5.81 .
10 Mn 4d 14 S 8h 5.81 .
10 Mn 4d 15 S 8h 5.70 .
10 Mn 4d 16 S 8h 4.28 .
10 Mn 4d 17 S 8h 4.45 .
10 Mn 4d 18 S 8h 4.28 .
10 Mn 4d 19 S 8h 5.70 .
10 Mn 4d 20 S 8h 4.45 .
10 Mn 4d 21 S 8i 2.43 .
10 Mn 4d 22 S 8i 2.43 .
10 Mn 4d 23 S 8i 2.41 .
10 Mn 4d 24 S 8i 4.52 .
10 Mn 4d 25 S 8i 4.47 .
10 Mn 4d 26 S 8i 4.52 .
10 Mn 4d 27 S 8i 2.41 .
10 Mn 4d 28 S 8i 4.47 .
11 Mn 4d 12 Mn 4d 3.76 .
11 Mn 4d 13 S 8h 2.55 .
11 Mn 4d 14 S 8h 2.55 .
11 Mn 4d 15 S 8h 4.74 .
11 Mn 4d 16 S 8h 2.55 .
11 Mn 4d 17 S 8h 6.05 .
11 Mn 4d 18 S 8h 2.55 .
11 Mn 4d 19 S 8h 6.05 .
11 Mn 4d 20 S 8h 4.74 .
11 Mn 4d 21 S 8i 5.91 .
11 Mn 4d 22 S 8i 5.91 .
11 Mn 4d 23 S 8i 4.50 .
11 Mn 4d 24 S 8i 5.91 .
11 Mn 4d 25 S 8i 2.49 .
11 Mn 4d 26 S 8i 5.91 .
11 Mn 4d 27 S 8i 2.49 .
11 Mn 4d 28 S 8i 4.50 .
12 Mn 4d 13 S 8h 2.55 .
12 Mn 4d 14 S 8h 2.55 .
12 Mn 4d 15 S 8h 6.05 .
12 Mn 4d 16 S 8h 2.55 .
12 Mn 4d 17 S 8h 4.74 .
12 Mn 4d 18 S 8h 2.55 .
12 Mn 4d 19 S 8h 4.74 .
12 Mn 4d 20 S 8h 6.05 .
12 Mn 4d 21 S 8i 5.91 .
12 Mn 4d 22 S 8i 5.91 .
12 Mn 4d 23 S 8i 2.49 .
12 Mn 4d 24 S 8i 5.91 .
12 Mn 4d 25 S 8i 4.50 .
12 Mn 4d 26 S 8i 5.91 .
12 Mn 4d 27 S 8i 4.50 .
12 Mn 4d 28 S 8i 2.49 .
13 S 8h 14 S 8h 3.44 .
13 S 8h 15 S 8h 3.91 .
13 S 8h 16 S 8h 5.10 .
13 S 8h 17 S 8h 4.03 .
13 S 8h 18 S 8h 3.76 .
13 S 8h 19 S 8h 3.91 .
13 S 8h 20 S 8h 4.03 .
13 S 8h 21 S 8i 7.53 .
13 S 8h 22 S 8i 6.48 .
13 S 8h 23 S 8i 3.62 .
13 S 8h 24 S 8i 5.12 .
13 S 8h 25 S 8i 3.50 .
13 S 8h 26 S 8i 6.39 .
13 S 8h 27 S 8i 3.62 .
13 S 8h 28 S 8i 3.50 .
14 S 8h 15 S 8h 3.91 .
14 S 8h 16 S 8h 3.76 .
14 S 8h 17 S 8h 4.03 .
14 S 8h 18 S 8h 5.10 .
14 S 8h 19 S 8h 3.91 .
14 S 8h 20 S 8h 4.03 .
14 S 8h 21 S 8i 6.48 .
14 S 8h 22 S 8i 7.53 .
14 S 8h 23 S 8i 3.62 .
14 S 8h 24 S 8i 6.39 .
14 S 8h 25 S 8i 3.50 .
14 S 8h 26 S 8i 5.12 .
14 S 8h 27 S 8i 3.62 .
14 S 8h 28 S 8i 3.50 .
15 S 8h 16 S 8h 4.03 .
15 S 8h 17 S 8h 6.23 .
15 S 8h 18 S 8h 4.03 .
15 S 8h 19 S 8h 3.74 .
15 S 8h 20 S 8h 4.97 .
15 S 8h 21 S 8i 3.62 .
15 S 8h 22 S 8i 3.62 .
15 S 8h 23 S 8i 7.53 .
15 S 8h 24 S 8i 3.50 .
15 S 8h 25 S 8i 3.86 .
15 S 8h 26 S 8i 3.50 .
15 S 8h 27 S 8i 6.52 .
15 S 8h 28 S 8i 5.37 .
16 S 8h 17 S 8h 3.91 .
16 S 8h 18 S 8h 3.44 .
16 S 8h 19 S 8h 4.03 .
16 S 8h 20 S 8h 3.91 .
16 S 8h 21 S 8i 5.12 .
16 S 8h 22 S 8i 6.39 .
16 S 8h 23 S 8i 3.50 .
16 S 8h 24 S 8i 7.53 .
16 S 8h 25 S 8i 3.62 .
16 S 8h 26 S 8i 6.48 .
16 S 8h 27 S 8i 3.50 .
16 S 8h 28 S 8i 3.62 .
17 S 8h 18 S 8h 3.91 .
17 S 8h 19 S 8h 4.97 .
17 S 8h 20 S 8h 3.74 .
17 S 8h 21 S 8i 3.50 .
17 S 8h 22 S 8i 3.50 .
17 S 8h 23 S 8i 3.86 .
17 S 8h 24 S 8i 3.62 .
17 S 8h 25 S 8i 7.53 .
17 S 8h 26 S 8i 3.62 .
17 S 8h 27 S 8i 5.37 .
17 S 8h 28 S 8i 6.52 .
18 S 8h 19 S 8h 4.03 .
18 S 8h 20 S 8h 3.91 .
18 S 8h 21 S 8i 6.39 .
18 S 8h 22 S 8i 5.12 .
18 S 8h 23 S 8i 3.50 .
18 S 8h 24 S 8i 6.48 .
18 S 8h 25 S 8i 3.62 .
18 S 8h 26 S 8i 7.53 .
18 S 8h 27 S 8i 3.50 .
18 S 8h 28 S 8i 3.62 .
19 S 8h 20 S 8h 6.23 .
19 S 8h 21 S 8i 3.62 .
19 S 8h 22 S 8i 3.62 .
19 S 8h 23 S 8i 6.52 .
19 S 8h 24 S 8i 3.50 .
19 S 8h 25 S 8i 5.37 .
19 S 8h 26 S 8i 3.50 .
19 S 8h 27 S 8i 7.53 .
19 S 8h 28 S 8i 3.86 .
20 S 8h 21 S 8i 3.50 .
20 S 8h 22 S 8i 3.50 .
20 S 8h 23 S 8i 5.37 .
20 S 8h 24 S 8i 3.62 .
20 S 8h 25 S 8i 6.52 .
20 S 8h 26 S 8i 3.62 .
20 S 8h 27 S 8i 3.86 .
20 S 8h 28 S 8i 7.53 .
21 S 8i 22 S 8i 3.44 .
21 S 8i 23 S 8i 3.91 .
21 S 8i 24 S 8i 5.10 .
21 S 8i 25 S 8i 4.03 .
21 S 8i 26 S 8i 3.76 .
21 S 8i 27 S 8i 3.91 .
21 S 8i 28 S 8i 4.03 .
22 S 8i 23 S 8i 3.91 .
22 S 8i 24 S 8i 3.76 .
22 S 8i 25 S 8i 4.03 .
22 S 8i 26 S 8i 5.10 .
22 S 8i 27 S 8i 3.91 .
22 S 8i 28 S 8i 4.03 .
23 S 8i 24 S 8i 4.03 .
23 S 8i 25 S 8i 6.23 .
23 S 8i 26 S 8i 4.03 .
23 S 8i 27 S 8i 3.74 .
23 S 8i 28 S 8i 4.97 .
24 S 8i 25 S 8i 3.91 .
24 S 8i 26 S 8i 3.44 .
24 S 8i 27 S 8i 4.03 .
24 S 8i 28 S 8i 3.91 .
25 S 8i 26 S 8i 3.91 .
25 S 8i 27 S 8i 4.97 .
25 S 8i 28 S 8i 3.74 .
26 S 8i 27 S 8i 4.03 .
26 S 8i 28 S 8i 3.91 .
27 S 8i 28 S 8i 6.23 .
Jij: magnetic exchange parameter between site i and j (Individual Jij values are temporarily not available while we perform maintenance.)
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Terms and conditions

Pair-resolved magnetic exchange parameters:

Exchange coupling parameters

Individual exchange parameters:

Exchange coupling parameters

Methods:

DFT calculations

  • exchange-correlation energy functional: GGA-PBE
  • pseudopotential type: PAW
  • cutoff energy: 65.0 Ry
  • k-point grid: (kx, ky, kz) = (None, None, None) for magnetic anisotropy calculations
  • package: QE (v6.3)

LMTO-GF calculations

  • k-point grid: (kx, ky, kz) =
  • energy mesh: 41 points on an elliptical contour
  • package: Questaal (v7)

References:

References

Materials Project: mvc-16600
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