Explore our questions
Score of 2
1 answer
28 views
PHONOPY vs VASP native finite displacement for phonon computational cost
- reputation score 38932
Score of 5
2 answers
218 views
How to apply F12 corrections across a basis set series?
- reputation score 38932
Score of 3
1 answer
141 views
VASP and Machine learning: any example available?
- reputation score 31
Score of 4
1 answer
141 views
Score of 2
0 answers
23 views
Error EDDDAV: Call to ZHEGV failed. Returncode = 11 1 12
- reputation score 21
Score of 7
1 answer
54 views
Score of 2
0 answers
15 views
Quantum espresso calculations using Burai gui
- reputation score 21
Score of 2
0 answers
25 views
Score of 2
1 answer
149 views
Convergence test for vacuum space, but the results obtained look "strange"
- reputation score 389
Score of 2
0 answers
26 views
help me plot orbital and spin texture
- reputation score 21
Score of 4
1 answer
457 views
spin textures plot from Quantum espresso bands.x output
- reputation score 21
Score of 9
1 answer
204 views
Score of 4
1 answer
147 views
Elastic Constant using Thermo PW
- reputation score 31
Score of 4
0 answers
40 views
How Should Vacuum Space Be Defined in DFT Calculations of 2D Materials?
- reputation score 93