Dear Sir, I would like to know whether QE 6.4 supports the following section,
&ions calculation='relax' ion_dynamics='damp', ion_velocities='zero', ion_radius(1)=1.0, ion_damping=0.01 Command to Run : pw.x < pt.relax.in If i include the above section, I am getting the following warning message, Warning: card &IONS ignored Warning: card CALCULATION='RELAX' ignored Warning: card ION_DYNAMICS='DAMP', ignored Warning: card ION_VELOCITIES='ZERO', ignored Warning: card ION_RADIUS(1)=1.0, ignored Warning: card ION_DAMPING=0.01 ignored Warning: card / ignored Kindly suggest me the solution to fix the error. Thanks and Regards, B.Arunachalam ------------------------------------------------------------------------------------------------------------ [ C-DAC is on Social-Media too. Kindly follow us at: Facebook: https://www.facebook.com/CDACINDIA & Twitter: @cdacindia ] This e-mail is for the sole use of the intended recipient(s) and may contain confidential and privileged information. If you are not the intended recipient, please contact the sender by reply e-mail and destroy all copies and the original message. Any unauthorized review, use, disclosure, dissemination, forwarding, printing or copying of this email is strictly prohibited and appropriate legal action will be taken. ------------------------------------------------------------------------------------------------------------
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