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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
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idpp.py
14.17 KB, 下载次数 Times of downloads: 12
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POSCARfin
3.31 KB, 下载次数 Times of downloads: 1
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POSCARini
3.31 KB, 下载次数 Times of downloads: 1
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