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Band structure calculation using Hybrid Functionals
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0
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250
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September 26, 2023
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Question about default parameters
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0
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99
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September 26, 2023
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Hybrids-Defects & coulomb cuttoff
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0
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165
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September 20, 2023
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Constrained relaxation, relax layers rigidly
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2
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202
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August 19, 2023
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Crash while performing positron calculation with larger vacancy
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2
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211
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August 19, 2023
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Nonlinear susceptibility calculated by HSE06
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2
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245
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August 13, 2023
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DFPT_CGWF WARNING : d2edt2 is zero, skipping update
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4
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312
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July 29, 2023
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Memory problem in positron Doppler broadening calculation
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2
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308
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July 23, 2023
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How do I get the same orientation of the lattice?
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6
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319
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July 24, 2023
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The paw pseudopotential calculation for nonlinear properties does not converge
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1
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262
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July 20, 2023
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Electron density of the Kohn-Sham states at specific k-points in the band structure
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4
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329
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July 17, 2023
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_OPT file is not generated for conducti
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13
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237
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July 13, 2023
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Kptbounds coordinates for special points K and M for an fcc (111) hexagonal face
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1
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299
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July 13, 2023
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Question regarding DMFT tutorial on SrVO3
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5
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203
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July 12, 2023
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Tutorial v9-t44 can not run correct
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7
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271
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July 2, 2023
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Wannier90 band structure calculation taking too long
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6
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291
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June 29, 2023
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Effect of time-reversal symmetry on SCF convergence
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1
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179
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June 28, 2023
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Shiftk not fully printed out in output file
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2
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157
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June 12, 2023
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Usecprj=0 : BUG in init_plowannier
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1
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156
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June 3, 2023
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K-points problem in cRPA
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1
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214
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June 1, 2023
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Fatbands using norm-conserving pseudopotential
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4
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330
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May 31, 2023
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Partial charge density
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2
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259
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May 23, 2023
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Quasi Fermi level keeps crashing - Occopt 9
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2
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235
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May 22, 2023
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Something wrong in plotting
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3
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153
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May 10, 2023
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Charge density calculation fails using prtden 4
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2
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194
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May 8, 2023
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Printing WFK file for some bands only
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1
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174
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May 8, 2023
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Error: "two consecutive points in the path which are equal" during band structure calculations
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3
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206
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April 11, 2023
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Positron Doppler calculation fails
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5
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390
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March 30, 2023
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No min/max C6 in for Van der Waals correction
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0
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177
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March 22, 2023
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Fail to run on MacOS catalina
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2
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301
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March 21, 2023
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