<div dir="ltr"><div><div><div><div><div><div>Hi everyone,<br><br></div>I'm really confused about how can I read the local potential out from the scf calculation. I used pp.x, plot_num=1 to extract the scf potential of the the system, however I can't really under stand the output? Should it show the potential in cofficients of G-vectors? I really have no ideas what these numbers are (the main part have 5 columns of numbers )..<br><br></div><div>Thank you very much for any suggestions!<br></div><div><br></div>Head of the output is like this:<br><br>Â Â Â Â Â 25Â Â Â Â Â 25Â Â Â Â 100Â Â Â Â Â 25Â Â Â Â Â 25Â Â Â Â 100Â Â Â Â Â Â 2Â Â Â Â Â Â 1<br>Â Â Â Â 4Â Â Â Â Â Â Â 4.64900000Â Â Â Â Â 0.00000000Â Â Â Â Â 4.00000000Â Â Â Â Â 0.00000000Â Â Â Â Â 0.00000000Â Â Â Â Â 0.00000000<br>Â Â Â Â Â 153.2912575334Â Â Â Â Â Â Â 4.0000000000Â Â Â Â Â Â 70.0000000000Â Â Â Â 1<br>Â Â 1Â Â CÂ Â Â Â 4.00<br>Â Â 1Â Â Â Â Â Â 0.000000000Â Â Â 0.000000000Â Â Â 0.000000000Â Â Â 1<br>Â Â 2Â Â Â Â Â Â 0.500000000Â Â -0.288675135Â Â Â 0.000000000Â Â Â 1<br>Â 3.248268856E+00Â 3.159870688E+00Â 2.515974539E+00Â 6.186557012E-01 -2.154636042E+00<br>Â -3.866568628E+00 -3.274420891E+00 -2.365272143E+00 -2.086628582E+00 -1.945051309E+00<br>Â -1.918992011E+00 -1.927145835E+00 -1.943940931E+00 -1.943940931E+00 -1.927145835E+00<br>Â -1.918992010E+00 -1.945051309E+00 -2.086628581E+00 -2.365272143E+00 -3.274420890E+00<br>Â -3.866568627E+00 -2.154636041E+00Â 6.186557014E-01Â 2.515974539E+00Â 3.159870688E+00<br>Â 3.159870688E+00Â 3.159870688E+00Â 2.802339131E+00Â 1.452305376E+00 -1.033031298E+00<br>Â -3.409639826E+00 -3.654745566E+00 -2.575759384E+00 -2.021392120E+00 -1.762140769E+00<br>Â -1.637123367E+00 -1.599819700E+00 -1.588050229E+00 -1.591678304E+00 -1.588050228E+00<br>Â -1.599819700E+00 -1.637123366E+00 -1.762140768E+00 -2.021392119E+00 -2.575759383E+00<br>Â -3.654745566E+00 -3.409639826E+00 -1.033031298E+00Â 1.452305376E+00Â 2.802339131E+00<br>Â 2.515974539E+00Â 2.794920980E+00Â 2.515974539E+00Â 1.452305376E+00 -6.088327143E-01<br>Â -2.976954364E+00 -3.787496708E+00 -2.827784418E+00 -2.048224903E+00 -1.714196738E+00<br>Â -1.488710208E+00 -1.380390580E+00 -1.313398615E+00 -1.296957599E+00 -1.296957599E+00<br>Â -1.313398615E+00 -1.380390580E+00 -1.488710208E+00 -1.714196738E+00 -2.048224903E+00<br>Â -2.827784418E+00 -3.787496708E+00 -2.976954363E+00 -6.088327142E-01Â 1.452305376E+00<br>Â 6.186557014E-01Â 1.426203806E+00Â 1.426203806E+00Â 6.186557014E-01 -1.033031298E+00<br>Â -2.976954363E+00 -3.792558359E+00 -2.995197487E+00 -2.094921250E+00 -1.698073457<br><br><br></div>Thanks.<br><br></div>Jing Wang<br></div>Dept. of Physics<br></div>Georgia Tech, GA, U.S.A<br></div>