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Hi, </div>
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I performed silicon scf caculation and now am trying to run a 'bands' calculation. I have copied the silicon.save file from scf directory into wfn directory. However, I get the following error:</div>
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<span style="margin: 0px"> Atomic positions and unit cell read from directory:<br>
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<div style="margin: 0px"> ./silicon.save/<br>
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<div style="margin: 0px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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<div style="margin: 0px"> Error in routine pw_readfile (1):<br>
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<div style="margin: 0px"> error opening xml data file<br>
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<div style="margin: 0px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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<div style="margin: 0px"><br>
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<div style="margin: 0px"> stopping ...<br>
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<span style="margin: 0px">cp: omitting directory `silicon.save'<br>
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<div style="margin: 0px"> Loading Intel 19.0.5: Warning - module intel already loaded<br>
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<div style="margin: 0px">Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0<br>
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<span style="margin: 0px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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<div style="margin: 0px"> task # 0<br>
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<div style="margin: 0px"> from pw_readfile : error # 1<br>
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<div style="margin: 0px"> error opening xml data file<br>
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<div style="margin: 0px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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<span style="margin: 0px"></span>.</div>
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Please help.</div>
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Thank you.</div>
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