Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Author: ADC Generation date: 7Feb2012 Pseudopotential type: PAW Element: Hg Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 30. Ry Suggested minimum cutoff for charge density: 121. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 2.000 2.100 -0.501906 6P 2 1 0.00 2.100 2.300 -0.114188 6P 2 1 0.00 2.100 2.300 -0.066095 5D 3 2 4.00 1.800 2.200 -0.808095 5D 3 2 6.00 1.800 2.200 -0.673248 Generation configuration: 6S 1 0 2.00 2.000 2.100 -0.501903 6S 1 0 0.00 1.700 2.100 2.300000 6P 2 1 0.00 2.100 2.300 -0.114190 6P 2 1 0.00 2.100 2.300 -0.066095 6P 2 1 0.00 1.800 2.300 8.000000 6P 2 1 0.00 1.800 2.300 8.000000 5D 3 2 4.00 1.800 2.200 -0.808094 5D 3 2 6.00 1.800 2.200 -0.673246 5D 3 2 0.00 1.800 2.200 4.300000 5D 3 2 0.00 1.800 2.200 4.300000 Pseudization used: troullier-martins 1.139852456943145E-005 1.154190035836278E-005 1.168707959270728E-005 1.183408495701567E-005 1.198293942117525E-005 1.213366624399886E-005 1.228628897685923E-005 1.244083146736889E-005 1.259731786310638E-005 1.275577261538943E-005 1.291622048309546E-005 1.307868653653023E-005 1.324319616134513E-005 1.340977506250371E-005 1.357844926829822E-005 1.374924513441648E-005 1.392218934806004E-005 1.409730893211415E-005 1.427463124937009E-005 1.445418400680072E-005 1.463599525988968E-005 1.482009341701516E-005 1.500650724388876E-005 1.519526586805018E-005 1.538639878341851E-005 1.557993585490062E-005 1.577590732305768E-005 1.597434380883031E-005 1.617527631832310E-005 1.637873624764950E-005 1.658475538783739E-005 1.679336592979659E-005 1.700460046934867E-005 1.721849201232021E-005 1.743507397969999E-005 1.765438021286102E-005 1.787644497884843E-005 1.810130297573370E-005 1.832898933803629E-005 1.855953964221358E-005 1.879298991221966E-005 1.902937662513415E-005 1.926873671686188E-005 1.951110758790415E-005 1.975652710920271E-005 2.000503362805705E-005 2.025666597411633E-005 2.051146346544658E-005 2.076946591467418E-005 2.103071363520677E-005 2.129524744753218E-005 2.156310868559678E-005 2.183433920326400E-005 2.210898138085401E-005 2.238707813176587E-005 2.266867290918269E-005 2.295380971286134E-005 2.324253309600751E-005 2.353488817223722E-005 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