In data 30 ottobre 2011 alle ore 18:52:49, Abolore Musari <abmus007 at gmail.com> ha scritto: > Dear QE Users, In my vc-relax calculation of my material, l > encountered this error: from scale _h: error # Not enough space > allocated for radial FFT: try restarting with larger cell_factor. pls > l need ur assistance what exactly the input parameter shld l adjust. > thanks abmus, Physics dept UNAAB
Dear Abolore, just do as the message say: set cell_factor to something larger (check the Doc/INPUT_PW.txt for details), or start with a better guess for the lattice parameter. best regards P.S. there is a message size limit for messages sent to the mailing list but it is high enough that you do not need to use SMS abbreviation. -- Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www.impmc.upmc.fr/~paulatto/ mail: 23-24/4?14 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
