issues
search
pranabdas
/
espresso
Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.
https://pranabdas.github.io/espresso/
110
stars
42
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
mistake in phonon dispersion example?
#36
alpinnovianus
opened
1 month ago
0
question on espresso deb file
#35
kimrojas
opened
2 months ago
1
fix: GaAs phonon calculation
#34
pranabdas
closed
3 months ago
1
Incorrect q_in_cryst_coord = .false. for `matdyn.x`` input in Hands-on Phonon dispersion?
#33
Tosykie
closed
3 months ago
2
Projected band structure?
#32
alpinnovianus
opened
4 months ago
2
Bug in PDOS Calculation
#30
Shibu778
closed
6 months ago
2
Bug in PDOS Calculation
#29
Shibu778
closed
6 months ago
0
questions about the dielectric constant of silicon.
#27
irene33039
opened
1 year ago
2
add workflow links to mat3ra
#26
pranabdas
opened
1 year ago
1
fix input file for GaAs bands calculation with SOC
#25
Kenounouh
closed
1 year ago
2
increase cutoff energy and charge density values in graphene example
#24
Kenounouh
closed
1 year ago
6
Bump http-cache-semantics from 4.1.0 to 4.1.1
#23
dependabot[bot]
closed
1 year ago
2
Bump ua-parser-js from 0.7.32 to 0.7.33
#22
dependabot[bot]
closed
1 year ago
2
Bump loader-utils from 2.0.3 to 2.0.4
#21
dependabot[bot]
closed
1 year ago
2
Bump nth-check and @svgr/webpack
#20
dependabot[bot]
closed
1 year ago
2
Bump terser from 5.14.1 to 5.14.2
#19
dependabot[bot]
closed
2 years ago
2
Bump async from 2.6.3 to 2.6.4
#18
dependabot[bot]
closed
2 years ago
1
Bump prismjs from 1.26.0 to 1.27.0
#17
dependabot[bot]
closed
2 years ago
1
Bump follow-redirects from 1.14.7 to 1.14.8
#16
dependabot[bot]
closed
2 years ago
1
Bump prismjs from 1.24.1 to 1.25.0
#15
dependabot[bot]
closed
2 years ago
1
Bump axios from 0.21.1 to 0.21.4
#14
dependabot[bot]
closed
2 years ago
1
Bump prismjs from 1.23.0 to 1.24.0
#13
dependabot[bot]
closed
3 years ago
1
Bump ws from 6.2.1 to 6.2.2
#12
dependabot[bot]
closed
3 years ago
1
Bump dns-packet from 1.3.1 to 1.3.4
#11
dependabot[bot]
closed
3 years ago
0
New GaAs calculation
#10
thepranab
closed
4 years ago
0
projwfc calculation updated
#9
thepranab
closed
4 years ago
0
new projwfc calculation
#8
thepranab
closed
4 years ago
0
band calculation for Al
#7
thepranab
closed
4 years ago
0
new calculations for aluminum added: vc-relax, scf, nscf and dos
#6
thepranab
closed
4 years ago
0
bands calculation
#5
thepranab
closed
4 years ago
0
dos calculation updated
#4
thepranab
closed
4 years ago
0
dos calculation added
#3
thepranab
closed
4 years ago
0
calculations revised using pseudo-potential from QE website
#2
thepranab
closed
4 years ago
0
changes to si.scf.in
#1
thepranab
closed
4 years ago
0