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<div><span></span>Dear Developers,</div><div><br></div><div>Recently I did a test abou the ph calulcation with vdw_corr='grimme-d2' for ph calculation in QE7.1 version. It prints the error in the ph calculation, as follows,</div><div><br></div><div><div> Parameters for Dispersion (Grimme-D2) Correction:</div><div> -------------------------------------------------</div><div> atom VdW radius C_6 </div><div><br></div><div>forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div>Image PC Routine Line Source </div><div>ph.x 00000000010D293A for__signal_handl Unknown Unknown</div><div>libpthread-2.17.s 0000149F4F86D630 Unknown Unknown Unknown</div><div>ph.x 0000000000B8FBE9 Unknown Unknown Unknown</div><div>ph.x 00000000008664F1 Unknown Unknown Unknown</div><div>ph.x 0000000000774BFD Unknown Unknown Unknown</div><div>ph.x 00000000004BD7FF Unknown Unknown Unknown</div><div>ph.x 000000000041A7C2 Unknown Unknown Unknown</div><div>ph.x 0000000000414F0E Unknown Unknown Unknown</div><div>ph.x 0000000000414E62 Unknown Unknown Unknown</div><div>libc-2.17.so 0000149F4ED77555 __libc_start_main Unknown Unknown</div><div>ph.x 0000000000414D69 Unknown Unknown Unknown</div></div><div><br></div><div><br></div><div>In addition, it works fine if this parameter <span style="background-color: transparent;">vdw_corr='grimme-d2' </span><span style="background-color: transparent;"> </span><span style="background-color: transparent;">is not set.</span></div><div><span style="background-color: transparent;"><br></span></div><div><span style="background-color: transparent;">Thanks </span></div><div><span style="background-color: transparent;"><br></span></div><div><span style="background-color: transparent;">Roc</span></div><div><span style="background-color: transparent;"><br></span></div><div><span style="background-color: transparent;">HTU</span></div><div><br></div><div><br></div><div><br></div>
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