yumin qian wrote: > the output file of charge density is suffix.dat , it's a binary file . > and the wave function file is suffix.wfcx is also a binary file. > but the file contains the system info is data-file.xml , my question > is how to set input parameter to make the out put files of wavefuntion > and charge density in xml format.
formatted xml? you can't: you have to modify the code where it reads and writes the data files. It is not a great idea, though: binary files are much smaller than formatted files Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
