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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Hi all,
<div>My recent calculation exhibit some strange error that I have not seen before. It is showing some error for reading the pseudopotential file H.pbe-kjpaw_psl.1.0.0.UPF for H and the calculation terminates. The output shows the following last lines:</div>
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<div> <font color="#ff0000"> Current dimensions of program PWSCF are:</font></div>
<div><font color="#ff0000"> Max number of different atomic species (ntypx) = 10</font></div>
<div><font color="#ff0000"> Max number of k-points (npk) = 40000</font></div>
<div><font color="#ff0000"> Max angular momentum in pseudopotentials (lmaxx) = 3</font></div>
<div><font color="#ff0000"> file Cu.pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4S 3D renormalized</font></div>
<div><font color="#ff0000"> file Ru.pbe-spn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4D renormalized</font></div>
<div><font color="#ff0000"> file C.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized</font></div>
<div><font color="#ff0000"> file O.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 2S 2P renormalized</font></div>
<div><font color="#ff0000">Application 36263218 exit codes: 134</font></div>
<div><font color="#ff0000">Application 36263218 resources: utime ~2s, stime ~1s, Rss ~16116, inblocks ~97230, outblocks ~173849</font></div>
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<div>However, the same calculations run without any error when I used the older version of PAW-PBE pseudopotential for H: H.pbe-kjpaw_psl.0.1.UPF.</div>
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<div>I have attached the error file also which starts with the following lines: Can you please help me to fix this error</div>
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<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000"># UNRECOVERABLE ERROR (ierr=-1)</font></div>
<div><font color="#ff0000"># UNRECOVERABLE ERROR (ierr=-1)</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000"># UNRECOVERABLE ERROR (ierr=-1)</font></div>
<div><font color="#ff0000"># ERROR IN: iotk_scan_begin (iotk_scan.f90:182)</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000"># UNRECOVERABLE ERROR (ierr=-1)</font></div>
<div><font color="#ff0000"># ERROR IN: iotk_scan_begin (iotk_scan.f90:182)</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000"># UNRECOVERABLE ERROR (ierr=-1)</font></div>
<div><font color="#ff0000"># CVS Revision: 1.23</font></div>
<div><font color="#ff0000"># FROM IOTK LIBRARY, VERSION 1.2.0</font></div>
<div><font color="#ff0000"># UNRECOVERABLE ERROR (ierr=-1)</font></div>
<div><font color="#ff0000"># Tag not found</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000"># ERROR IN: iotk_scan_begin (iotk_scan.f90:182)</font></div>
<div><font color="#ff0000">########################################################################################################################</font></div>
<div><font color="#ff0000">namel=PP_GIPAW_CORE_ORBITALS</font></div>
<div><font color="#ff0000">#################################################################</font></div>
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