[Wien] The new method of optimizing the internal parameter

karima Physique physique.karima at gmail.com
Mon Oct 15 16:02:41 CEST 2018


Dear Wien2k user;

According to user guide, after a SCF cycle with runsp -fc 1 we continue
with  run runsp -min
I want to know which of these two methods is the correct one:
1)
runsp -fc 1
runsp -min
runsp -min -fc 0.5 -ec 0.0001 -cc 0.001

or
2)
runsp -fc 1
runsp -min -fc 0.5 -ec 0.0001 -cc 0.001
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