|
Creating Custom pair_style, bond_style, fix_style etc
|
|
3
|
18
|
November 26, 2024
|
|
Losing atoms error
|
|
3
|
48
|
November 22, 2024
|
|
Materials Project API Access: 403 Error Using Netlify Proxy
|
|
3
|
23
|
November 16, 2024
|
|
How to high throughput calculate the effective mass from materials project
|
|
1
|
251
|
November 5, 2024
|
|
Use the atomate2 elastic workflow to reproduce the Elastic Constants given on next-gen.materialsproject.org
|
|
1
|
26
|
November 3, 2024
|
|
Get data from the Catalysis Explorer
|
|
4
|
441
|
October 24, 2024
|
|
Inquiry about RedoxDoc - data availability and extraction steps
|
|
3
|
37
|
October 16, 2024
|
|
Question regarding lammps to create our own potential file
|
|
4
|
30
|
October 12, 2024
|
|
Crystal structure of cubic Ba (mp-122) is not correct
|
|
2
|
21
|
October 1, 2024
|
|
Find the indices of the atoms entering into the reactions
|
|
0
|
24
|
September 28, 2024
|
|
Error in "pair coefficient"
|
|
14
|
148
|
September 15, 2024
|
|
How can I know if an entry from the mp-api is stable around room temperature?
|
|
2
|
25
|
September 10, 2024
|
|
How can you get_ieee_rotation without calculating the piezoelectric constants?
|
|
0
|
11
|
September 7, 2024
|
|
Issues with GCMC and NVT in Vapor-Substrate Simulation in LAMMPS
|
|
9
|
80
|
September 6, 2024
|
|
Issue with Temperature Increase During Vapor Deposition in NVT Simulation
|
|
15
|
112
|
September 6, 2024
|
|
Interatomic potential and user-defined potential for nanoparticle simulation
|
|
7
|
32
|
September 2, 2024
|
|
Problem with finding band structures of the crystal
|
|
0
|
24
|
August 28, 2024
|
|
Download VASP INCAR file button doesn't work on MP website
|
|
3
|
17
|
August 24, 2024
|
|
How to fix too high Positive Pressure in MD Simulation
|
|
1
|
23
|
August 23, 2024
|
|
Do I need to divide the numpy array myself in order to obtain the charge density in units 1/Å^3?
|
|
2
|
19
|
August 20, 2024
|
|
The bandgap derived from the band structure and dos for MP-19501 is inconsistent
|
|
0
|
15
|
August 20, 2024
|
|
How can i download the chgcar file for multiples mp_ids and convert them into individual npy files?
|
|
12
|
140
|
August 19, 2024
|
|
Problem in thermal conductivity calculations
|
|
4
|
104
|
July 24, 2024
|
|
How can i retrieve band gap of a specific structure(eg: cubic perovskite) of a material. Which api can be used
|
|
3
|
58
|
July 22, 2024
|
|
Applying a shear force wave input on a box of granular particles during uniform compression
|
|
1
|
91
|
June 20, 2024
|
|
Help with ERROR: Lost atoms in LAMMPS?
|
|
3
|
1009
|
July 20, 2023
|
|
Issues with bop CdTe
|
|
2
|
279
|
May 30, 2024
|
|
How to creat Amorphous/Glassy Carbon Structure?
|
|
6
|
197
|
May 29, 2024
|
|
MP Phase Diagram App -- finite T only works for "R2SCAN only"
|
|
8
|
147
|
May 15, 2024
|
|
Errors on different section titles when making data file in GUI
|
|
2
|
195
|
May 5, 2024
|