[Pw_forum] vc-relax
ade wale
adewaleakeem12 at gmail.com
Thu Jan 11 08:41:46 CET 2018
*Dear all,
**I'm trying to perform a "vc-relax" calculation using the smearing*
*method with QE v 6.2.
**The calculation stops running after iteration at forces acting on atoms*
*(atom 54 out of 60 atoms).*
*I have tried with both mv and gauss smearing, but I have the
**same issue.
**Please find attached, the input and output of my work.
*
*Thanks in advance!
*
* Regards,*
*Akeem Adekunle Adewale*
*PhD Candidate*
*Universiti Malaysia Perlis*
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