[Wien] runsp_lapw following afm_lapw
Wenmei
iphyboy at yahoo.com.cn
Wed Feb 13 07:58:34 CET 2008
Dear Wien2k users,
recently, I have done some AFM calculations, but I have somewhat confused
by the recommedation below from the Wien2k userguide
" It is recommended that you save your work(lapw_save) and check the results by continuing with a regular runsp_lapw. If nothing changes(E-tot and other properties),then you are ok."
why E-tot and other properties should not change by continuting a regular runsp_lapw? if it is truely so, will it be conclude that the final converged result has dependence of the initial given condition, not uniquely determined???
Any suggestion will be greatly appreciated!
Best regards,
Iphyboy
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