Dear Lorenzo and Paolo,
Thanks for your quick reply, but I don't know how to get the modified "run_example" script. The input file of average.x is as follows: 1 Al100.pot 1.D0 1440 3 3.835000000 I just copy it from the WorkFct-examples. Thanks in advance. Best regards, Gao Yuxiang ________________________________ 发件人: users <[email protected]> 代表 Paolo Giannozzi <[email protected]> 发送时间: 2019年2月11日 18:04:25 收件人: Quantum Espresso users Forum 主题: Re: [QE-users] Error in Average.x If you provide the modified "run_example" script, maybe somebody may help you. Paolo On Mon, Feb 11, 2019 at 6:28 AM GAO Yuxiang <[email protected]<mailto:[email protected]>> wrote: Dear all, I'm trying to run the WorkFct-examples by version 6.3, but average.x calculation returned an error task # 0 from average : error # 1 nfile is wrong I only changed pseudo_dir and outdir, pw.x and pp.x calculation were right. I don't know why I got this error, because I used same infile as the example. Could you please help me out? Thank you very much. Best regards, Gao Yuxiang _______________________________________________ users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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