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Calculation of adsorption energy and diffusivity
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1
|
13
|
January 19, 2021
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Adjust shift while fitting to ab initio energies
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3
|
22
|
January 19, 2021
|
|
Register Request
|
|
1
|
26
|
January 11, 2021
|
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Parallelization
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|
3
|
51
|
December 30, 2020
|
|
Rigid molecule approximation for molecular crystals
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2
|
54
|
December 24, 2020
|
|
GULP installation error
|
|
8
|
78
|
December 9, 2020
|
|
Questions about Commands
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|
4
|
106
|
November 24, 2020
|
|
Underlying physical basis of the gulp and the Claff force feild for simulating the properties of minerals
|
|
10
|
122
|
November 20, 2020
|
|
A quick question about input of potentials
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3
|
83
|
November 18, 2020
|
|
Mdmaxtemp
|
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4
|
77
|
November 12, 2020
|
|
Calculate first few bands of phonon dispersion
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2
|
60
|
November 10, 2020
|
|
ERROR : memory allocation failed
|
|
8
|
111
|
November 6, 2020
|
|
Diffusion foctor of Li in LiFePO4
|
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2
|
79
|
November 5, 2020
|
|
Applying strain and calculate properties
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6
|
95
|
October 17, 2020
|
|
MacOS install gfortran issues
|
|
3
|
131
|
September 23, 2020
|
|
Grouping Atoms in GULP
|
|
6
|
167
|
September 22, 2020
|
|
Linker Skips Incompatible Libraries for Unknown Reason
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|
3
|
109
|
September 14, 2020
|
|
Segmentation Fault when Compiling in Parallel
|
|
6
|
121
|
September 9, 2020
|
|
Compiling GULP on a Linux Server
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|
6
|
234
|
September 1, 2020
|
|
installing GULP
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|
2
|
217
|
August 26, 2020
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