Dear users
I am running wien version wien2k-12.
I have 2 questions.
First,
when I change the RMT value, calculation results of energy and volume are
changed. Does RMT value affect the calculation result?
Since I have read the literature which says RMT only affects the speed of the
calculation, I am so confused now.
Second,
I cannot understand the meaning of the script written in [optimize.job] file.
1.
---
if (-e case.clmsum && ! -z case.clmsum) then
x dstart -super
endif
if (-e case.clmup && ! -z case.clmup) then
x dstart -super -up
x dstart -super -dn
endif
---
2.
---
clmextrapol_lapw
if (-e case.clmup && ! -z case.clmup) then
clmextrapol_lapw -up
clmextrapol_lapw -dn
endif
---
Is there anyone who could help me to understand these script?
Regards
Taro
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