|
Gulp nfsroot install
|
|
2
|
31
|
November 28, 2023
|
|
Three-body rmin cut offs
|
|
2
|
42
|
November 15, 2023
|
|
Charge compensation by hole formation modelling
|
|
4
|
71
|
November 14, 2023
|
|
The input generated by material studio is not compatible with original group
|
|
6
|
67
|
November 13, 2023
|
|
Visualization in GDis
|
|
1
|
38
|
November 13, 2023
|
|
Lattice energy optimisation
|
|
3
|
62
|
November 8, 2023
|
|
Group velocity dependency on unit cell size
|
|
1
|
54
|
November 6, 2023
|
|
How to install gulp in ubuntu
|
|
3
|
77
|
October 31, 2023
|
|
Installing GULP
|
|
25
|
2164
|
October 27, 2023
|
|
GULP - Input scripts - Clarification
|
|
1
|
66
|
October 26, 2023
|
|
AMBER FFs in GULP
|
|
2
|
65
|
October 19, 2023
|
|
Unit of gtol ftol xtol
|
|
1
|
70
|
October 16, 2023
|
|
Fitting LJ (epsilon, Sigma form) for successive configuration files
|
|
1
|
71
|
October 13, 2023
|
|
Pair distribution functions
|
|
1
|
79
|
October 13, 2023
|
|
How to read DYNAMO setfl format file for EAM potential
|
|
1
|
61
|
October 11, 2023
|
|
Fit potential
|
|
3
|
124
|
October 8, 2023
|
|
Matrix inversion failed in EEM/QEq
|
|
4
|
95
|
October 5, 2023
|
|
Phonon dispersion curve of SLG
|
|
1
|
75
|
October 5, 2023
|
|
Calculating Bond Lengths
|
|
1
|
66
|
October 3, 2023
|
|
Bulk Modulus of 0
|
|
4
|
95
|
October 3, 2023
|
|
Visualization software
|
|
1
|
75
|
October 2, 2023
|
|
How to convert elastic constants calculated from primitive cell to conventional cell?
|
|
2
|
82
|
September 30, 2023
|
|
Spring constant value
|
|
7
|
90
|
September 29, 2023
|
|
Reproduction of published interatomic potentials
|
|
1
|
73
|
September 29, 2023
|
|
Example67 for thermal conductivity
|
|
5
|
132
|
September 22, 2023
|
|
Keyword confusion: meaning of coulomb_subtract rmax and ewald realradius
|
|
3
|
63
|
September 21, 2023
|
|
Warning message saying "Warning - number of modes has changed to xxx ***"
|
|
2
|
76
|
September 18, 2023
|
|
Molecular crystal relaxation
|
|
9
|
205
|
September 18, 2023
|
|
Problem of gulp parallel in linux
|
|
5
|
110
|
September 15, 2023
|
|
Phonon calculation with negative frequencies (imaginary models)
|
|
3
|
75
|
September 11, 2023
|