Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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Thank you for your help. I downloaded Multiwfn 3.7 instead of 3.8 by accident. Works like a charm now!
Hi, I have the following problem. I used ORCA 6.0 to calculate excited states of my molecule. Here's the input file:
! wB97X def2-TZVPD def2/J RIJCOSX CPCM(THF) %TDDFT NROOTS 30 maxcore 4000 TDA true TPRINT 1E-8 END %output PrintLevel Normal #Print[ P_MOs ] 1 #Print[ P_Overlap ] 1 end * xyzfile 0 1 antr.xyzUpon convergence, I converted .gbw file to .molden.input type, and then tried to use multiwfn to analyse excited states. Unfortunately, once I load .molden.input file, followed by .out file, the program crashes:
C:\Users\aroma\Desktop\Obliczenia\antracen-nowy\uv\antr_multi.out This file is recognized as an ORCA output file There are 30 excited states, loading basic information... forrtl: severe (59): list-directed I/O syntax error, unit 10, file C:\Users\aroma\Desktop\Obliczenia\antracen-nowy\uv\antr_multi.out Image PC Routine Line Source Multiwfn.exe 00007FF681FC4138 Unknown Unknown Unknown Multiwfn.exe 00007FF681F7A0BA Unknown Unknown Unknown Multiwfn.exe 00007FF681F784F9 Unknown Unknown Unknown Multiwfn.exe 00007FF6819605B2 Unknown Unknown Unknown Multiwfn.exe 00007FF68199F25E Unknown Unknown Unknown Multiwfn.exe 00007FF6819503D6 Unknown Unknown Unknown Multiwfn.exe 00007FF681CE278A Unknown Unknown Unknown Multiwfn.exe 00007FF682854462 Unknown Unknown Unknown Multiwfn.exe 00007FF682B1B4B4 Unknown Unknown Unknown KERNEL32.DLL 00007FFE94687374 Unknown Unknown Unknown ntdll.dll 00007FFE963FCC91 Unknown Unknown UnknownI sincerely ask for help!
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