[Wien] Structural relaxation

Subhasis Samanta subhasissamanta2 at gmail.com
Thu Dec 25 09:40:16 CET 2014


Dear friends,

I am a new wien2k user. I did structural relaxation (atomic position)
calculation using the command as

min -j 'runsp_lapw -I -fc 1.0 -i 100'

There was no error in my calculation. But it does not save the new
case.struct files under case_1/2/3/ ..Could you tell how to save all the
new case.struct files and the final relaxed structure files

best wishes
Subhasis
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