Hi, CGRocha: Thanks a lot for your reply.
Yes, I did. And I am sure it can open the .WFS file, but it just can not read it... What I did was adding a ling in readwf.f: open (5, file='input.dat', status='old'). It worked before, but suddenly it did not work.. And I also tried to use the original readwf.f file, and run it as: ifort readwf.f < input.dat, this time, these is no error message, but the job just stuck, and never finish.... I really do not know what is wrong at this point... Best Yuting On Thu, Dec 1, 2011 at 1:44 AM, Gomes Rocha <[email protected]> wrote: > Hello, > > did you create a short input file containing these lines: > > <system_label>.WFS (or simply WFS if you converted the WFSX file into WFS) > name of the output file > 0.0001 (a small number) > > and then feed the code with > > readwf < readwf.inp > > best > > CGRocha > > > On 1 December 2011 00:51, Yuting Li <[email protected]> wrote: > > Hi, all: > > > > Sorry for bothering. > > > > Right now I am having problem using readwf.f file which is provided by > > SIESTA to read .WFS file containing the information about the > wavefunctions > > of the system. > > > > I used ifort compiler to compile readwf.f and run it, it worked perfectly > > before. But this time, it has error information when I try to run it: > > "forrtl: severe (39): error during read, unit 10..." > > And I also tried the code wfs2wfsx.f file, it does not work either. > > > > I am really confused right now, since it worked well before, and > suddenly it > > dose not work. If someone can help me out, I'll really appreciate that. > > > > Best > > > > Yuting >
