Hello all Someone knows how to enlarge the data matrix stored in filepp(1), when calculating electronic density using pp.x? That file is limited up to 140 MB (using iflag = 3, output_format = 3) so it stores a 3d-matrix 432x432x45, but I would need a biger one.
thank you in advance! ____ Lic. Jorge A. Garc?a Gallardo Materiales Metalicos y Nanoestructurados TeMaDi Bariloche Atomic Center CNEA
