Dear all, I noticed a problem when running pp.x with ibrav=0, namely the program stops with "incompatible celldm". This is a code check that the celldm of all files to plot in the run are compatible with each other, but it occurs also when plotting from a single file, which of course is compatible with itself.
Actually, with ibrav=0, celldm(1) is defined to |a1| by latgen and stored in the variable "celldm" (see chdens.f90), but no similar definition is done for variable "celldms" which is left to 0, hence the stop. I am using QE-5.0, but the same would happen with earlier versions. I enclose a test case (atomic H) for a quick run. NB By removing the check the code produces the results expected, yet this is not *the* solution. Guido PS Of course you might ask why am I using ibrav=0... -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy -------------- next part -------------- A non-text attachment was scrubbed... Name: chdens-ibrav0.tgz Type: application/x-compressed-tar Size: 3859 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20120530/883fbde5/attachment.bin
