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tdep-tutorials
TDEP Tutorials
Creative Commons Zero v1.0 Universal
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Raman tutorial - obtain infile.dielectric_constants
#60
R3aptor
opened
4 months ago
0
Interface with phono3py
#59
R3aptor
opened
4 months ago
0
stress not found, set to 0
#58
studentanddoctor
closed
5 months ago
0
Using LAMMPS as the force calculator
#57
antonf-ekb
closed
6 months ago
1
ups
#55
legens123l
closed
8 months ago
0
Typos in 02_sampling/sTDEP tutorial
#54
corettialessandro
opened
9 months ago
1
segmentation fault for 01_basics/GaN_infiles
#53
tsiayigong
opened
11 months ago
2
proposal to change code to sum mode 3+4
#52
pzeiger
opened
1 year ago
1
-rc3 flag is missing
#51
pzeiger
closed
1 year ago
1
Broken links
#50
sponce24
closed
1 year ago
1
hidden files don't seem to be currently uploaded
#49
jpabatista
closed
1 year ago
0
ingoing should be outgoing?
#48
jpabatista
closed
1 year ago
0
This figure is a 900K, which confused me for a while ^^
#47
pzeiger
opened
1 year ago
1
Typo: inpute.isotopes file (should be infile.isotopes?)
#46
NinaStrasser
closed
1 year ago
1
outfile.thermal_conductivity
#45
pzeiger
closed
1 year ago
1
Typo
#44
genijalac11
closed
1 year ago
1
Typo 1300K?
#43
oscarlindbul
opened
1 year ago
1
Fk fixes
#42
flokno
closed
1 year ago
1
Isn't it -T 300??
#41
keysongkang
closed
1 year ago
1
add --dos option for the plot_dos_convergence.py script
#40
MaxMignolet
closed
1 year ago
1
Typo
#39
sponce24
closed
1 year ago
1
Should be -T 300
#38
Surefire618
closed
1 year ago
1
typo
#37
flokno
closed
1 year ago
0
typos
#36
prakayastha
closed
1 year ago
1
important_settings.conda should not have aqua
#35
prakayastha
opened
1 year ago
0
fix typos in basics
#34
johkl
closed
1 year ago
0
Update links in basic tutorials
#33
johkl
closed
1 year ago
1
gan_potential folder missing
#32
sponce24
closed
1 year ago
1
Spelling mistake in 00_basics README.md
#31
PetterRosander
closed
1 year ago
1
Python 3.8.10 error when calling shutil.py when calling canonical_configuration
#30
jpabatista
closed
1 year ago
1
Fix old path to new one
#29
jpabatista
closed
1 year ago
2
Provide forces?
#28
RobertaFarris93
opened
1 year ago
0
Sampling: Add MgO and convergence examples
#27
flokno
closed
1 year ago
0
parsing | update FHI-aims tutorial
#26
flokno
closed
1 year ago
0
sampling | update tutorial w/ Florian's feeback
#25
flokno
closed
1 year ago
0
add vasp parsing tutorial
#24
johkl
closed
1 year ago
1
parsing | add FHI-aims tutorial
#23
flokno
closed
1 year ago
0
Red flag tutorial
#22
flokno
opened
1 year ago
0
Lineshape tutorial
#21
jpabatista
closed
1 year ago
0
File handling tutorial
#20
flokno
opened
1 year ago
0
Zr potential @flokno
#19
flokno
closed
1 year ago
1
Sampling tutorial for Zr
#18
flokno
closed
1 year ago
0
refinement | add intro for geometry refinement
#17
flokno
closed
1 year ago
0
Basics tutorial
#16
flokno
opened
1 year ago
0
basics tutorial
#15
johkl
closed
1 year ago
1
Thermal conductivity
#14
RobertaFarris93
closed
1 year ago
2
so3krates | add Si and MgO potential
#13
flokno
closed
1 year ago
0
so3krates | add model and instructions + test
#12
flokno
closed
1 year ago
1
Draft for the basic thermodynamic tutorial
#11
OrbitalC
closed
1 year ago
0
Add Raman and IR tutorial
#10
flokno
closed
1 year ago
1
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