Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: W Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 55. Ry Suggested minimum cutoff for charge density: 366. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 0.950 1.500 -5.776053 6S 2 0 2.00 0.950 1.500 -0.426527 5P 2 1 2.00 1.100 1.600 -3.678227 5P 2 1 4.00 1.100 1.600 -2.951278 6P 3 1 0.00 1.100 1.600 -0.131936 6P 3 1 0.00 1.100 1.600 -0.095340 5D 3 2 4.00 1.100 2.000 -0.356600 5D 3 2 0.00 1.100 2.000 -0.303852 Generation configuration: 5S 1 0 2.00 0.950 1.500 -5.776054 6S 2 0 2.00 0.950 1.500 -0.426526 5P 2 1 2.00 1.100 1.600 -3.678229 5P 2 1 4.00 1.100 1.600 -2.951279 6P 3 1 0.00 1.100 1.600 -0.131941 6P 3 1 0.00 1.100 1.600 -0.095341 5D 3 2 4.00 1.100 2.000 -0.356602 5D 3 2 0.00 1.100 2.000 -0.303848 5D 3 2 0.00 1.100 2.000 0.300000 5D 3 2 0.00 1.100 2.000 0.300000 Pseudization used: troullier-martins &input title='W', zed=74., rel=2, config='[Xe] 4f14 6s2 6p0 5d4', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='W.rel-pz-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 0.95 1.50 0.0 6S 2 0 2.00 0.00 0.95 1.50 0.0 5P 2 1 6.00 0.00 1.10 1.60 0.0 6P 3 1 0.00 0.00 1.10 1.60 0.0 5D 3 2 4.00 0.00 1.10 2.00 0.0 5D 3 2 0.00 0.30 1.10 2.00 0.0 1.232272926425022e-5 1.247773011714895e-5 1.263468064076462e-5 1.279360535893586e-5 1.295452910397324e-5 1.311747702053931e-5 1.328247456957755e-5 1.344954753229069e-5 1.361872201416906e-5 1.379002444906966e-5 1.396348160334644e-5 1.413912058003268e-5 1.431696882307581e-5 1.449705412162563e-5 1.467940461437646e-5 1.486404879396376e-5 1.505101551141626e-5 1.524033398066395e-5 1.543203378310280e-5 1.562614487221700e-5 1.582269757825912e-5 1.602172261298936e-5 1.622325107447433e-5 1.642731445194614e-5 1.663394463072271e-5 1.684317389718986e-5 1.705503494384614e-5 1.726956087441114e-5 1.748678520899795e-5 1.770674188935081e-5 1.792946528414853e-5 1.815499019437469e-5 1.838335185875532e-5 1.861458595926510e-5 1.884872862670269e-5 1.908581644633624e-5 1.932588646361992e-5 1.956897618998237e-5 1.981512360868788e-5 2.006436718077145e-5 2.031674585104828e-5 2.057229905419907e-5 2.083106672093176e-5 2.109308928422071e-5 2.135840768562455e-5 2.162706338168330e-5 2.189909835039604e-5 2.217455509778008e-5 2.245347666451262e-5 2.273590663265596e-5 2.302188913246721e-5 2.331146884929382e-5 2.360469103055567e-5 2.390160149281515e-5 2.420224662893608e-5 2.450667341533264e-5 2.481492941930956e-5 2.512706280649461e-5 2.544312234836456e-5 2.576315742986590e-5 2.608721805713120e-5 2.641535486529279e-5 2.674761912639454e-5 2.708406275740323e-5 2.742473832832073e-5 2.776969907039809e-5 2.811899888445311e-5 2.847269234929235e-5 2.883083473023929e-5 2.919348198776965e-5 2.956069078625521e-5 2.993251850281780e-5 3.030902323629463e-5 3.069026381631631e-5 3.107629981249913e-5 3.146719154375288e-5 3.186300008770585e-5 3.226378729024829e-5 3.266961577519599e-5 3.308054895407544e-5 3.349665103603188e-5 3.391798703786214e-5 3.434462279417376e-5 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