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<DIV>Dear all:</DIV>
<DIV><U>When I calculate PDOS using projwfc.x, I meet error like this:</U></DIV></SPAN>
<DIV><SPAN style="FONT-SIZE: 18px"></SPAN> Calling projwave ....</DIV>
<DIV> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% </DIV>
<DIV> from davcio : error # 10<BR> error while reading from file<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% </DIV>
<DIV> stopping ...<BR></DIV>
<DIV><U>But example08 and example16 are OK, I guess there's something wrong with my pseudopotential file. I attached the pp file (from the psilibrary), here's the first few lines:</U></DIV>
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<DIV><UPF version="2.0.1"><BR> <PP_INFO><BR> Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution)<BR> Author: TM<BR> Generation date: 17Oct2011<BR> Pseudopotential type: NC<BR> Element: Si<BR> Functional: PBE</DIV>
<DIV> Suggested minimum cutoff for wavefunctions: 0. Ry<BR> Suggested minimum cutoff for charge density: 0. Ry<BR> The Pseudo was generated with a Scalar-Relativistic Calculation<BR> L component and cutoff radius for Local Potential: 2 1.8000</DIV>
<DIV> Valence configuration:<BR> nl pn l occ Rcut Rcut US E pseu<BR> 3S 1 0 2.00 1.800 1.800 -0.794728<BR> 3P 2 1 2.00 1.800 1.800 -0.299963<BR> Generation configuration:<BR> 3S 1 0 2.00 1.800 1.800 -0.794724<BR> 3P 2 1 2.00 1.800 1.800 -0.299964<BR> 3D 3 2 0.00 1.800 1.800 0.100000<BR> Pseudization used: troullier-martins<BR> </PP_INFO><BR> <!-- --><BR> <!-- END OF HUMAN READABLE SECTION --><BR> <!-- --><BR> <PP_HEADER generated='Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution)'<BR> author="TM"<BR> date="17Oct2011"<BR> comment=""<BR> element="Si"<BR> pseudo_type="NC"<BR> relativistic="scalar"<BR> is_ultrasoft="F"<BR> is_paw="F"<BR> is_coulomb="F"<BR> has_so="F"<BR> has_wfc="F"<BR> has_gipaw="F"<BR> paw_as_gipaw="F"<BR> comment=""<BR> element="Si"<BR> pseudo_type="NC"<BR> relativistic="scalar"<BR> is_ultrasoft="F"<BR> is_paw="F"<BR> is_coulomb="F"<BR> has_so="F"<BR> has_wfc="F"<BR> has_gipaw="F"<BR> paw_as_gipaw="F"<BR> core_correction="T"<BR> functional="PBE"<BR> z_valence="4.000000000000000E+000"<BR> total_psenergy="-9.286635279439430E+000"<BR> wfc_cutoff="0.000000000000000E+000"<BR> rho_cutoff="0.000000000000000E+000"<BR> l_max="2"<BR> l_max_rho="4"<BR> l_local="2"<BR> mesh_size="1141"<BR> number_of_wfc="2"<BR> number_of_proj="2"/><BR> functional="PBE"<BR> z_valence="4.000000000000000E+000"<BR> total_psenergy="-9.286635279439430E+000"<BR> wfc_cutoff="0.000000000000000E+000"<BR> rho_cutoff="0.000000000000000E+000"<BR> l_max="2"<BR> l_max_rho="4"<BR> l_local="2"<BR> mesh_size="1141"<BR> number_of_wfc="2"<BR> number_of_proj="2"/><BR> <PP_MESH dx="1.250000000000000E-002" mesh="1141" xmin="-7.000000000000000E+000" rmax="1.000000000000000E+002"<BR>zmesh="1.400000000000000E+001"><BR> <PP_R type="real" size="1141" columns="4"><BR> 6.513442611103688E-005 6.595371633350159E-005 6.678331195832729E-005 6.762334261151813E-005<BR>...................</DIV>
<DIV> </DIV>
<DIV><U>how can i modify the file to pass reading wavefunctions?</U></DIV>
<DIV>many thanks!!</DIV>
<DIV>jinxi</DIV>
<DIV> </DIV>
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