|
Repeatation of structures
|
|
0
|
14
|
October 24, 2025
|
|
Can tensorial cluster expansion be used for Monte Carlo simulations in ATAT?
|
|
0
|
10
|
October 16, 2025
|
|
Interactive online interface for creating input files for generation of SQS in ATAT mcsqs
|
|
2
|
108
|
October 14, 2025
|
|
output structure during MC
|
|
0
|
16
|
October 11, 2025
|
|
The mcsqs program seems to be stuck in a non-terminating state.
|
|
3
|
26
|
October 10, 2025
|
|
Monte Carlo simulation problem using Phb and emc2 command
|
|
1
|
29
|
September 23, 2025
|
|
MCSQS - Segmentation Fault
|
|
3
|
63
|
September 19, 2025
|
|
Automated SQS search across concentration range with ATAT mcsqs
|
|
2
|
48
|
September 9, 2025
|
|
Generating SQS for a Ternary HCP Alloy (A-90%, B-6%, C-4%) with Extreme Concentration Skew
|
|
1
|
36
|
September 8, 2025
|
|
Fitting problems of magnetic atoms using MAPS
|
|
1
|
18
|
September 8, 2025
|
|
mmaps queries
|
|
1
|
34
|
September 6, 2025
|
|
Quenstion on the concentration of atoms in rndstr.in
|
|
2
|
60
|
September 6, 2025
|
|
Unstable modes in fitfc
|
|
5
|
56
|
September 6, 2025
|
|
Phase Diagram Calculation using Phb command
|
|
1
|
38
|
September 6, 2025
|
|
Stiffness vs Bond length curve
|
|
2
|
40
|
September 6, 2025
|
|
How to use ATAT to build an SQoS structure
|
|
1
|
77
|
September 6, 2025
|
|
Memory corruption error while running fitfc
|
|
8
|
73
|
September 5, 2025
|
|
Defining new crystal structures and generating SQS for them
|
|
1
|
20
|
September 5, 2025
|
|
Segmentation fault (core dumped)-mscqs
|
|
1
|
35
|
September 5, 2025
|
|
Unexpected Error on "Impossible to match point correlations"
|
|
2
|
20
|
September 5, 2025
|
|
Unknown atom label
|
|
4
|
28
|
September 5, 2025
|
|
mcsqs finishes immediately and returns only one structure for YSZ fluorite model
|
|
1
|
30
|
September 5, 2025
|
|
why I can only calculate two 'pure' structures after using the pollmach runstruct_vasp command
|
|
2
|
34
|
September 5, 2025
|
|
VASP Fails on SQS Generated for High‑Entropy Co₃O₄‑Based Oxide
|
|
1
|
43
|
September 5, 2025
|
|
Objective function stagnates (mcsqs)
|
|
2
|
66
|
June 17, 2025
|
|
Intallation error
|
|
7
|
94
|
June 10, 2025
|
|
SQS mcsqs 2D monolayer alloy question
|
|
1
|
44
|
June 9, 2025
|
|
ATAT website now hosted on Github
|
|
0
|
68
|
June 9, 2025
|
|
Counseling on the output contents of the memc2 command
|
|
3
|
34
|
May 17, 2025
|
|
Relaxed structures (CONTCAR) to fit to cluster expansion instead of unrelaxed (POSCAR) structure
|
|
1
|
50
|
May 16, 2025
|