Dear pwscf users, Could anyone give me an estimation of hard disk requirement for a calculation of IR spectrum at gamma using 200 atoms? When I tried to calculate this supercell, all 40 GB disk was full and not enough for further calculation.
Regards, Shaofeng -------------------------------------- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China [email protected] www.iae.cas.cn _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
