[Wien] Structural relaxation

[Yevgen Melikhov]

Dear Subhasis,

In order to save every 3rd calculation during structural relaxation please use switch -s with 3 (see page 74 of the Section 5.3 of the User's Guide):

min -s 3 -j 'runsp_lapw -I -fc 1.0 -i 100'

Best regards,
Yevgen.

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Subhasis Samanta Thu, 25 Dec 2014 00:41:42 -0800

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