|
Bus error in thermal conductivity calculation
|
|
1
|
62
|
March 11, 2021
|
|
Installing GULP
|
|
2
|
141
|
March 4, 2021
|
|
Coulomb subtraction error
|
|
2
|
69
|
March 1, 2021
|
|
Fitting for electromechanical properties from DFT Structure
|
|
3
|
82
|
February 21, 2021
|
|
Polynomial Potential
|
|
1
|
85
|
February 20, 2021
|
|
Broaden_dos
|
|
3
|
70
|
February 4, 2021
|
|
Rigid molecule approximation for molecular crystals
|
|
7
|
188
|
February 2, 2021
|
|
Status of the gulp calculation
|
|
2
|
69
|
February 1, 2021
|
|
QEq method and the Coulomb overlap integral
|
|
4
|
109
|
February 1, 2021
|
|
Diffusion foctor of Li in LiFePO4
|
|
7
|
202
|
January 28, 2021
|
|
Calculation of adsorption energy and diffusivity
|
|
1
|
75
|
January 19, 2021
|
|
Adjust shift while fitting to ab initio energies
|
|
3
|
85
|
January 19, 2021
|
|
Register Request
|
|
1
|
86
|
January 11, 2021
|
|
Parallelization
|
|
3
|
108
|
December 30, 2020
|
|
GULP installation error
|
|
8
|
420
|
December 9, 2020
|
|
Questions about Commands
|
|
4
|
227
|
November 24, 2020
|
|
Underlying physical basis of the gulp and the Claff force feild for simulating the properties of minerals
|
|
10
|
244
|
November 20, 2020
|
|
A quick question about input of potentials
|
|
3
|
204
|
November 18, 2020
|
|
Mdmaxtemp
|
|
4
|
174
|
November 12, 2020
|
|
Calculate first few bands of phonon dispersion
|
|
2
|
149
|
November 10, 2020
|
|
ERROR : memory allocation failed
|
|
8
|
197
|
November 6, 2020
|
|
Applying strain and calculate properties
|
|
6
|
161
|
October 17, 2020
|
|
MacOS install gfortran issues
|
|
3
|
265
|
September 23, 2020
|
|
Grouping Atoms in GULP
|
|
6
|
250
|
September 22, 2020
|
|
Linker Skips Incompatible Libraries for Unknown Reason
|
|
3
|
229
|
September 14, 2020
|
|
Segmentation Fault when Compiling in Parallel
|
|
6
|
275
|
September 9, 2020
|
|
Compiling GULP on a Linux Server
|
|
6
|
499
|
September 1, 2020
|
|
installing GULP
|
|
2
|
353
|
August 26, 2020
|
