Hi I'm having trouble getting onto the mail to ask this question.
I generated a .DRHO file (seems to be a binary file) using SIESTA-2.0.2 but grid2cube fails with this error Reading grid data from file h2o.DRHO Cell vectors 3.939510275336585E-082 5.318890987668247E-315 0.000000000000000E+000 0.000000000000000E+000 6.681110345654526E-257 5.317086417837468E-315 0.000000000000000E+000 0.000000000000000E+000 2.228164141988374E+108 Grid mesh: 0 x 16 x 0 nspin = 32 nspin must be either 1 or 2 It seems to want an ASCII file. Can SIESTA output an ASCII .DRHO density file. Nigel -- Nigel W. Moriarty Building 64R0246B, Physical Biosciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Fax : 510-486-5909 Email : [email protected] Web : CCI.LBL.gov
