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23 Open 332 Closed
23 Open 332 Closed
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Issues list

Does not accept GSL/2.8
#372 opened Nov 28, 2024 by paul-f-baumeister
3
Chemical potential of atoms in terms of the occupation of electronic levels
#371 opened Nov 25, 2024 by gmarci
4
Fixed Potential Calculations: Value of mu for 0 V vs SHE?
#369 opened Nov 18, 2024 by ColinBundschu
2
Is it possible for jDFTX to perform structural optimization and transition state search calculations under constant potential directly?
#367 opened Nov 7, 2024 by diaojiaz
1
" PAW datasets are not yet supported."
#366 opened Nov 4, 2024 by mmarchywka
1
units of el-ph matrix
#363 opened Oct 16, 2024 by cam559
1
tutorial 1.3.1 oxide surface python script failed although i am using jdftx 1.7,
#362 opened Oct 12, 2024 by mmarchywka
1
'Coulomb truncation embedding center is not invariant under symmetries. ' in H2 calculate
#360 opened Oct 9, 2024 by qingyawang
1
In-situ or "streaming" visualization?
#358 opened Oct 6, 2024 by mmarchywka
3
Question about SOC and parallel capability
#357 opened Oct 3, 2024 by ShiminZhang21
2
fluidShape center relative to atoms
#355 opened Oct 1, 2024 by dmpatel00
1
IonicMinimize: Step failed along negative gradient direction. IonicMinimize: Probably at roundoff error limit. (Stopping)
#350 opened Aug 19, 2024 by AndrewTaehonKim
1
Forces not working properly when using slabs too thick
#348 opened Aug 12, 2024 by cam559
1
Dipole correction still needed?
#347 opened Aug 9, 2024 by sjtuzhanglei
1
Question: non-local contribution in SaLSA
#346 opened Aug 6, 2024 by tomdemeyere
1
VASP was used for structure optimization and JDFTX was used for constant-potential calculation
#343 opened Jul 24, 2024 by moyulyy
1
I would like to ask a question about energy units in JDFTx programs
#339 opened Jun 19, 2024 by OTTHao
2
jdftx_gpu CUDA Error: out of memory
#338 opened Jun 15, 2024 by zhbzhbzhbzhb
5
Calculation of the electronic structure of 2D materials
#337 opened Jun 11, 2024 by moyulyy
1
meta-GGA compatibility with SOC
#331 opened May 25, 2024 by sergbuto
6
XC functionals for Van-der-Waals interactions
#311 opened Dec 21, 2023 by ximik69
3
Issue with calculating adsorption energy
#310 opened Dec 14, 2023 by yygao7
19
1.7.0 not building with recent libxc due to cam_alpha, beta, omega change
#275 opened May 8, 2023 by mmarchywka
3
ProTip! Adding no:label will show everything without a label.