[QE-users] [SPAM] DFT-D2 for ph calculatio in QE7.1

[526587466 at qq.com]

Dear Developers,

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,

     Parameters for Dispersion (Grimme-D2) Correction:
     -------------------------------------------------
       atom      VdW radius       C_6     

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
ph.x               00000000010D293A  for__signal_handl     Unknown  Unknown
libpthread-2.17.s  0000149F4F86D630  Unknown               Unknown  Unknown
ph.x               0000000000B8FBE9  Unknown               Unknown  Unknown
ph.x               00000000008664F1  Unknown               Unknown  Unknown
ph.x               0000000000774BFD  Unknown               Unknown  Unknown
ph.x               00000000004BD7FF  Unknown               Unknown  Unknown
ph.x               000000000041A7C2  Unknown               Unknown  Unknown
ph.x               0000000000414F0E  Unknown               Unknown  Unknown
ph.x               0000000000414E62  Unknown               Unknown  Unknown
libc-2.17.so       0000149F4ED77555  __libc_start_main     Unknown  Unknown
ph.x               0000000000414D69  Unknown               Unknown  Unknown


In addition,  it works fine if this parameter vdw_corr='grimme-d2'  is not set.

Thanks 

Roc

HTU





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