Dear Wien2k users,
I have edited the optimized.job by
uncommenting the following two lines for running simultaneous optimization
of atomic coordinates with a,b,c:
runsp_lapw -nlvdw -ec 0.0001
min -I -j "runsp_lapw -nlvdw -I -fc 1.0 -i 40 "
Is this method is correct?
Looking forward to hearing from you.
Thanks in advance
with regards,
--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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