<div>> Dear Ou,<BR>>Your problem is</div> <div>>> ==============================================<BR>>><BR>>> * **from electrons : error # 1*<BR>>><BR>>> * charge is wrong*<BR>>><BR>>> ==============================================<BR>>I have met this problem before,please set nelec=... in the NAMELIST&SYSTEM in the inputfile of pw.x.At the same time set dt smaller maybe dt=50 or 40 or 30 is OK. one more thing, do set max_second as default,or do not set it.</div> <div> </div> <div>Best wishes</div> <div> </div> <div>sun, from east china normal university.</div><BR><BR><p> 
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