gw0 # [R] GW approximation ppa # [R][Xp] Plasmon Pole Approximation for the Screened Interaction rim_cut # [R] Coulomb potential HF_and_locXC # [R] Hartree-Fock em1d # [R][X] Dynamically Screened Interaction NLogCPUs= 10 # [PARALLEL] Live-timing CPU`s (0 for all) DIP_CPU= "1 4 1" # [PARALLEL] CPUs for each role DIP_ROLEs= "k c v" # [PARALLEL] CPUs roles (k,c,v) DIP_Threads= 0 # [OPENMP/X] Number of threads for dipoles X_and_IO_CPU= "1 1 1 4 1" # [PARALLEL] CPUs for each role X_and_IO_ROLEs= "q g k c v" # [PARALLEL] CPUs roles (q,g,k,c,v) X_and_IO_nCPU_LinAlg_INV= -1 # [PARALLEL] CPUs for Linear Algebra (if -1 it is automatically set) X_Threads= 0 # [OPENMP/X] Number of threads for response functions SE_CPU= "1 4 1" # [PARALLEL] CPUs for each role SE_ROLEs= "q qp b" # [PARALLEL] CPUs roles (q,qp,b) SE_Threads= 0 # [OPENMP/GW] Number of threads for self-energy RandQpts= 3000000 # [RIM] Number of random q-points in the BZ RandGvec= 1 RL # [RIM] Coulomb interaction RS components CUTGeo= "box z" # [CUT] Coulomb Cutoff geometry: box/cylinder/sphere/ws/slab X/Y/Z/XY.. % CUTBox 0.000000 | 0.000000 | 68.00000 | # [CUT] [au] Box sides % CUTRadius= 0.000000 # [CUT] [au] Sphere/Cylinder radius CUTCylLen= 0.000000 # [CUT] [au] Cylinder length CUTwsGvec= 0.700000 # [CUT] WS cutoff: number of G to be modified EXXRLvcs= 110539 RL # [XX] Exchange RL components VXCRLvcs= 110539 RL # [XC] XCpotential RL components Chimod= "HARTREE" # [X] IP/Hartree/ALDA/LRC/PF/BSfxc % QpntsRXp 1 | 7 | # [Xp] Transferred momenta % % BndsRnXp 1 | 2000 | # [Xp] Polarization function bands % NGsBlkXp= 20 Ry # [Xp] Response block size % LongDrXp 0.577350E-5 | 0.577350E-5 | 0.577350E-5 # [Xp] [cc] Electric Field % PPAPntXp= 1.000000 Ha # [Xp] PPA imaginary energy % GbndRnge 1 | 2000 | # [GW] G[W] bands range % GTermKind= "none" # [GW] GW terminator ("none","BG" Bruneval-Gonze,"BRS" Berger-Reining-Sottile) DysSolver= "n" # [GW] Dyson Equation solver ("n","s","g") %QPkrange # [GW] QP generalized Kpoint/Band indices 7| 7| 35| 36| 7| 7| 40| 41| 1| 1| 38| 39| 1| 1| 44| 45| %