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[VASP] 求助,idpp.py生成过渡态出错

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idpp.py:230: RuntimeWarning: invalid value encountered in true_divide
  tau1 = tmp1/np.linalg.norm(tmp1)
idpp.py:231: RuntimeWarning: invalid value encountered in true_divide
  tau2 = tmp2/np.linalg.norm(tmp2)
idpp.py:244: RuntimeWarning: invalid value encountered in true_divide
  tau1 = tmp1/np.linalg.norm(tmp1)
idpp.py:245: RuntimeWarning: invalid value encountered in true_divide
  tau2 = tmp2/np.linalg.norm(tmp2)
idpp.py:237: RuntimeWarning: invalid value encountered in true_divide
  tau1 = tmp1/np.linalg.norm(tmp1)
idpp.py:238: RuntimeWarning: invalid value encountered in true_divide
  tau2 = tmp2/np.linalg.norm(tmp2)
sorry, idpp can't reach converging! you may change the parameters                     or make the initial path by yourself!!!


Using CONTCARs to generate movie

麻烦各位大佬给看看是什么问题
idpp.py和POSCAR见附件

idpp.py

14.17 KB, 下载次数 Times of downloads: 12

POSCARfin

3.31 KB, 下载次数 Times of downloads: 1

POSCARini

3.31 KB, 下载次数 Times of downloads: 1

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