Dear Paolo,
"plotrho" was devised to be run interactively. Now I see. I ignored that unit=5 denotes input from the keyboard by default. Thank you. Best regards, Jian-qi Huang -----原始邮件----- 发件人:"Paolo Giannozzi" <[email protected]> 发送时间:2020-07-15 02:29:55 (星期三) 收件人: "Quantum ESPRESSO users Forum" <[email protected]> 抄送: 主题: Re: [QE-users] a problem in the source code of plotrho.f90 It is a (very old) programming choice: "plotrho" was devised to be run interactively, so if it does not prompt for a variable, there is no need to supply it Paolo On Tue, Jul 14, 2020 at 4:41 PM <[email protected]> wrote: Dear QE developers, There seems to be a problem in the plotrho.f90 code(qe6.5, also in previous version), between line 93 and 99, as following: IF (rhomin > 0.d0) THEN WRITE( stdout,'("Logarithmic scale (y/n)? > ")', advance="NO") READ (5, '(a)') ans logarithmic_scale = ans/='n'.and.ans/='N' ELSE logarithmic_scale = .false. ENDIF for the case rhomin < 0.d0 (may occur due to the error in the numerical calculation), it won't read from the unit=5 file, which leads to the program termination in the subsequent read because of the wrong data type. So a tiny modification as follows can solve the problem IF (rhomin > 0.d0) THEN WRITE( stdout,'("Logarithmic scale (y/n)? > ")', advance="NO") READ (5, '(a)') ans logarithmic_scale = ans/='n'.and.ans/='N' ELSE READ (5, '(a)') ans logarithmic_scale = .false. ENDIF Best regards, Jian-qi Huang Jian-qi Huang Magnetism and Magnetic Materials Division Institute of Metal Research Chinese Academy of Sciences 72 Wenhua Road, Shenyang 110016, China email:[email protected] _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [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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