|
Installing GULP
|
|
27
|
3609
|
March 28, 2024
|
|
GULP - Anion order
|
|
2
|
162
|
March 26, 2024
|
|
Three body potential counting
|
|
1
|
194
|
March 26, 2024
|
|
Isothermal optimization
|
|
1
|
211
|
March 17, 2024
|
|
PCFF potential in GULP
|
|
1
|
200
|
March 13, 2024
|
|
Study defects
|
|
3
|
300
|
February 12, 2024
|
|
Specifying positions
|
|
1
|
180
|
February 12, 2024
|
|
Fitting LJ (epsilon, Sigma form) for successive configuration files
|
|
2
|
354
|
February 8, 2024
|
|
Greater atom connectivity error
|
|
2
|
220
|
January 29, 2024
|
|
Parallel and serial
|
|
8
|
418
|
January 24, 2024
|
|
Phonon Frequencies are all output as 0
|
|
2
|
192
|
January 24, 2024
|
|
How to Choose Dynamical Matrix Cutoff
|
|
1
|
227
|
January 18, 2024
|
|
The input generated by material studio is not compatible with original group
|
|
9
|
517
|
December 18, 2023
|
|
Installing error
|
|
2
|
292
|
December 15, 2023
|
|
Dihedral part of OPLS force field
|
|
1
|
234
|
December 8, 2023
|
|
Difference in single point energy between GULP and Gromacs
|
|
4
|
312
|
December 7, 2023
|
|
Gulp nfsroot install
|
|
2
|
198
|
November 28, 2023
|
|
Three-body rmin cut offs
|
|
2
|
227
|
November 15, 2023
|
|
Charge compensation by hole formation modelling
|
|
4
|
256
|
November 14, 2023
|
|
Visualization in GDis
|
|
1
|
215
|
November 13, 2023
|
|
Lattice energy optimisation
|
|
3
|
231
|
November 8, 2023
|
|
Group velocity dependency on unit cell size
|
|
1
|
221
|
November 6, 2023
|
|
How to install gulp in ubuntu
|
|
3
|
244
|
October 31, 2023
|
|
GULP - Input scripts - Clarification
|
|
1
|
245
|
October 26, 2023
|
|
Unit of gtol ftol xtol
|
|
1
|
225
|
October 16, 2023
|
|
Pair distribution functions
|
|
1
|
202
|
October 13, 2023
|
|
How to read DYNAMO setfl format file for EAM potential
|
|
1
|
312
|
October 11, 2023
|
|
Fit potential
|
|
3
|
490
|
October 8, 2023
|
|
Matrix inversion failed in EEM/QEq
|
|
4
|
354
|
October 5, 2023
|
|
Phonon dispersion curve of SLG
|
|
1
|
267
|
October 5, 2023
|