Dear sir,<br> I am doing a <b>spin-orbit calculation</b> and I want to visualize the wavefunction for a particular band with appropriate sign in it. I used the 'lisgn' variable with kpoint=1 (as in the scf.out file Gamma point is the first point in the kpoint list) in the input file of pp.x, . After running the pp.x, the program stops with an error "<b>from local_dos : error # 1 not available</b>". I searched the forum and got something on the same issue but it did not help me. Can somebody please help me how to include the sign of the wavefunction? Here is my <a href="http://pp.in">pp.in</a> file<br>
<br>&inputpp<br> prefix = 'abc'<br> outdir = 'tmp'<br> filplot = 'gamma-density.dat'<br> plot_num= 7<br> kpoint=1<br> kband=32<br> lsign=.true.<br> /<br> &plot<br> nfile = 1<br>
weight(1) = 1.0<br> iflag = 3<br> output_format = 3<br> fileout = 'gamma-density1.xsf'<br> nx=50,ny=50,nz=50<br><br>Thanks in advance.<br>=============<br>Koushik<br>Graduate student<br>JNCASR<br>Bangalore, India<br>