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【求助已成功】VASP的Warning及奇怪的错误? 谢谢
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VASP计算状态方程的奇怪问题? Mo-bcc的状态方程计算出现下面问题? 没设NGX,NGY,NGZ的值出现下面的警告提示?这个提示对计算结果影响大吗? WARNING: wrap around error must be expected set NGX to 20 根据提示设置 NGX=40;NGY=48;NGZ=48,WARNING:没有了,但是又出现下面的问题.请问NGX,NGY,NGZ到底代表什么呀?看手册没看明白,请大家指点一下,快崩溃了。 计算几步以后一直出现下面的信息,计算不往下进行了 hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star hit a member that was already found in another star [ Last edited by xiaowu787 on 2010-12-4 at 10:06 ] |
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