[Wien] WARNING Backtracking, rise

巴拉比 balabi at qq.com
Tue Nov 30 14:18:29 CET 2021


Dear wien2k users,


I am using wien2k 21.1 and I am doing a +U calculation of RbTb2Fe4As4O2. A 0.44Ry is added to Tb element. I run the scf calculation using runsp_c_lapw.


The scf finally converges. But I found that there are many "WARNING Backtracking, rise" appear in scf file, especially there is "WARNING Backtracking, rise" in the last iteration 236. 


So what does this Backtracking warning mean? Does my scf reliable with this warning in the last iteration?


best regards


RbHo2Fe4As4O2.scf:237443::ITE216:216. ITERATION
RbHo2Fe4As4O2.scf:238559::ITE217:217. ITERATION
RbHo2Fe4As4O2.scf:239529::WARNING Backtracking, rise   3.5521
RbHo2Fe4As4O2.scf:239635::ITE218:218. ITERATION
RbHo2Fe4As4O2.scf:240751::ITE219:219. ITERATION
RbHo2Fe4As4O2.scf:241721::WARNING Backtracking, rise   2.8819
RbHo2Fe4As4O2.scf:241827::ITE220:220. ITERATION
RbHo2Fe4As4O2.scf:242943::ITE221:221. ITERATION
RbHo2Fe4As4O2.scf:244059::ITE222:222. ITERATION
RbHo2Fe4As4O2.scf:245171::ITE223:223. ITERATION
RbHo2Fe4As4O2.scf:246281::ITE224:224. ITERATION
RbHo2Fe4As4O2.scf:247391::ITE225:225. ITERATION
RbHo2Fe4As4O2.scf:248505::ITE226:226. ITERATION
RbHo2Fe4As4O2.scf:249620::ITE227:227. ITERATION
RbHo2Fe4As4O2.scf:250731::ITE228:228. ITERATION
RbHo2Fe4As4O2.scf:251842::ITE229:229. ITERATION
RbHo2Fe4As4O2.scf:252957::ITE230:230. ITERATION
RbHo2Fe4As4O2.scf:253927::WARNING Backtracking, rise   7.7655
RbHo2Fe4As4O2.scf:254033::ITE231:231. ITERATION
RbHo2Fe4As4O2.scf:255148::ITE232:232. ITERATION
RbHo2Fe4As4O2.scf:256118::WARNING Backtracking, rise   4.8664
RbHo2Fe4As4O2.scf:256224::ITE233:233. ITERATION
RbHo2Fe4As4O2.scf:257336::ITE234:234. ITERATION
RbHo2Fe4As4O2.scf:258447::ITE235:235. ITERATION
RbHo2Fe4As4O2.scf:259558::ITE236:236. ITERATION
RbHo2Fe4As4O2.scf:260528::WARNING Backtracking, rise   2.4276
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