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WebOffizieller Händler 0471089052 [email protected] zurück zur Website Konfigurieren Sie Ihr neues Fahrzeug Alles Anzeigen Besuchen Sie uns! USt-IdNr. 02714950215 0471089052 [email protected] Bozen Lanciastraße, 14 0471089052 [email protected] Öffnungszeiten … WebIn INCAR 设置 IBRION=1 in INCAR 错误： internal ERROR RSPHER:running out of buffer 0 0 13 1 0 nonlr.F:Out of buffer RSPHER 得到的CONTCAR是空的！ 结构优化出现错误： Internal内部的、内在的 ERROR RSPHER:running out of buffer缓冲 0 0 13 1 0 nonlr.F:Out of buffer RSPHER 解决：将NPAR=1修改成4（或者2），问题 ...
WebMay 19, 2006 · The INCAR file describes the other electronic constraints you want to put on your calculation. The comments in the file describe what each tag means. Both Mg and O are non-magnetic, therefore this is a non-spin polarized calculation. At the end of the Tutorial I will show you how to modify the INCAR to do a spin-polarized calculation.
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