Optic: use of wfk_task instead of running nscf/ddk calculation
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2
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175
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October 6, 2021
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Abipy installation problem
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3
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132
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October 6, 2021
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Computing static electro-optic coefficients by GGA+NC
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2
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154
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October 5, 2021
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Positron Doppler calculation fails after SCF steps
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5
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181
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September 28, 2021
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[SOLVED] APPA post-processing tool
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5
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249
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September 21, 2021
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BUG: excited configuration with nqfd not working
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5
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173
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September 20, 2021
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Eigendisplacement units
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1
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167
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September 16, 2021
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How to calculate refractive index and extinction coefficient
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1
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341
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September 15, 2021
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Error dhpev returned info !=0
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5
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193
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September 14, 2021
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the fermi-level of metal in the eph_task
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4
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148
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September 8, 2021
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What is causing BSE error?
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1
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135
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September 7, 2021
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Absorption Spectrum
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1
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138
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September 7, 2021
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Optimizing the relaxation convergence time
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2
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235
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September 5, 2021
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ASR violation in AlAs fermi smearing
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3
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1033
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September 4, 2021
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Overwriting default variables in Input File?
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4
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167
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August 18, 2021
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[SOLVED] PAW carbon surface energy calculation diverges
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6
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263
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August 17, 2021
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TypeError: ‘NoneType’ object is not subscriptable
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2
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143
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August 16, 2021
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Supercell with Europium impurity : Convergence problem
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3
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1094
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August 7, 2021
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How to calculate minimum direct band gap
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5
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185
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August 4, 2021
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How to calculate scissor operator
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6
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288
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August 4, 2021
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Eigenenergies for core electrons
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4
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149
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August 3, 2021
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Response function calculation of d/dk wave function with empty states
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3
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223
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July 30, 2021
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Phonon calculation about q wavevectors setting
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1
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1901
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July 28, 2021
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PAW+DFPT+GGA has unreasonable energy values
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5
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392
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July 28, 2021
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Elastic constants of Cr
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2
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664
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July 28, 2021
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Nonlinear optic calculation
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1
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225
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July 28, 2021
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How to calculate absorption spectrum and photothermal conversion efficiency
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1
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286
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July 28, 2021
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TypeError: 'NoneType' object is not subscriptable
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3
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277
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July 22, 2021
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GW band-gap calculation
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1
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112
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July 22, 2021
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Get the irreducible atomic perturbations numbers
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2
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115
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July 17, 2021
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