|
The atomic model of the HCP structure fails to assign atomic coordinates during calculation.
|
|
6
|
31
|
May 19, 2026
|
|
Mmaps
|
|
4
|
65
|
April 26, 2026
|
|
Questions about SQS generation for ceramic systems (e.g., Li-rich layered oxides)
|
|
3
|
93
|
April 3, 2026
|
|
Unique configurations for 441 MoS2 supercell (4 dopants)
|
|
2
|
38
|
March 3, 2026
|
|
Using `func` in place of `energy` in `sqs2tdb` 3.50
|
|
0
|
27
|
February 2, 2026
|
|
Getting only e in predstr.out
|
|
0
|
29
|
January 13, 2026
|
|
[sysadmin] ATAT 3.50 installation now available in EasyBuild
|
|
0
|
95
|
December 1, 2025
|
|
Fitting issues in DFT U calculations using MMAPS
|
|
0
|
38
|
November 25, 2025
|
|
Wrong Enthalpy of mixing values with conventional BCC cell
|
|
0
|
40
|
November 19, 2025
|
|
New code to calculate melting points: SLUSCHI
|
|
2
|
86
|
November 17, 2025
|
|
A question about the svsl code and slspring.out file in the ATAT
|
|
0
|
28
|
November 12, 2025
|
|
MAGATOM in vasp.wrap and MAGMOM
|
|
2
|
74
|
November 5, 2025
|
|
Fitting problems of magnetic atoms using MAPS
|
|
3
|
79
|
November 4, 2025
|
|
MAGATOM: POSCAR section in vasp.wrap and MAGMOM
|
|
3
|
114
|
November 3, 2025
|
|
Repeatation of structures
|
|
0
|
35
|
October 24, 2025
|
|
Can tensorial cluster expansion be used for Monte Carlo simulations in ATAT?
|
|
0
|
32
|
October 16, 2025
|
|
Interactive online interface for creating input files for generation of SQS in ATAT mcsqs
|
|
2
|
194
|
October 14, 2025
|
|
output structure during MC
|
|
0
|
47
|
October 11, 2025
|
|
The mcsqs program seems to be stuck in a non-terminating state.
|
|
3
|
90
|
October 10, 2025
|
|
Monte Carlo simulation problem using Phb and emc2 command
|
|
1
|
60
|
September 23, 2025
|
|
MCSQS - Segmentation Fault
|
|
3
|
142
|
September 19, 2025
|
|
Automated SQS search across concentration range with ATAT mcsqs
|
|
2
|
99
|
September 9, 2025
|
|
Generating SQS for a Ternary HCP Alloy (A-90%, B-6%, C-4%) with Extreme Concentration Skew
|
|
1
|
73
|
September 8, 2025
|
|
mmaps queries
|
|
1
|
71
|
September 6, 2025
|
|
Quenstion on the concentration of atoms in rndstr.in
|
|
2
|
114
|
September 6, 2025
|
|
Unstable modes in fitfc
|
|
5
|
116
|
September 6, 2025
|
|
Phase Diagram Calculation using Phb command
|
|
1
|
70
|
September 6, 2025
|
|
Stiffness vs Bond length curve
|
|
2
|
77
|
September 6, 2025
|
|
How to use ATAT to build an SQoS structure
|
|
1
|
139
|
September 6, 2025
|
|
Memory corruption error while running fitfc
|
|
8
|
134
|
September 5, 2025
|