Mo E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 5.70 -0.721562 -0.727903 -0.728505 -0.728662 -0.756900 5.80 -0.736312 -0.742504 -0.743113 -0.743267 -0.771258 5.90 -0.744545 -0.750788 -0.751394 -0.751547 -0.779302 6.00 -0.747492 -0.753669 -0.754271 -0.754426 -0.781992 6.10 -0.745708 -0.751981 -0.752574 -0.752730 -0.780152 6.20 -0.740262 -0.746438 -0.747029 -0.747184 -0.774688 6.30 -0.731407 -0.737677 -0.738262 -0.738419 -0.765835 6.40 -0.720032 -0.726292 -0.726877 -0.727032 -0.754388 6.50 -0.706496 -0.712726 -0.713308 -0.713461 -0.740710 Parameters from Murnaghan fit: a_0 (Å) 3.18 3.18 3.18 3.18 3.18 B_0 (GPa) 240 240 240 240 238 Mo E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 5.70 -0.827288 -0.833087 -0.833643 -0.833783 -0.824389 5.80 -0.836870 -0.842533 -0.843096 -0.843241 -0.833683 5.90 -0.840242 -0.845978 -0.846543 -0.846689 -0.836799 6.00 -0.838553 -0.844250 -0.844817 -0.844969 -0.834859 6.10 -0.832359 -0.838174 -0.838739 -0.838894 -0.828731 6.20 -0.822698 -0.828455 -0.829023 -0.829180 -0.819105 6.30 -0.809841 -0.815721 -0.816291 -0.816451 -0.806269 6.40 -0.794629 -0.800531 -0.801104 -0.801263 -0.791018 6.50 -0.777460 -0.783369 -0.783944 -0.784104 -0.773741 Parameters from Murnaghan fit: a_0 (Å) 3.13 3.13 3.13 3.13 3.13 B_0 (GPa) 280 278 278 278 276