Dear Peter Blaha and Gavin Abo
I am using wien2k 18.2 version. I am trying to calculate the XMCD of Fe3O4. When I came to step to the 'x optic -up', I found an the following error: emin,emax,nbvalmax -5.00000000000000 3.00000000000000 99999 XMCD selected for atom 2 L23 LSO= T forrtl: severe (64): input conversion error, unit 18, file /home/mahabub/WIEN2k/Fe3O4/Fe3O4.vspup Image PC Routine Line Source opticc 000000000043DA5E Unknown Unknown Unknown opticc 000000000046113D Unknown Unknown Unknown opticc 00000000004037B9 atpar_ 62 atpar_op.f opticc 000000000042F054 cor_mat_ 340 sph-UPcor_tmp.f opticc 0000000000412F53 MAIN__ 476 opmain.f opticc 0000000000402C9E Unknown Unknown Unknown libc-2.27.so 0000151708BACB97 __libc_start_main Unknown Unknown opticc 0000000000402BA9 Unknown Unknown Unknown 0.006u 0.003s 0:00.01 0.0% 0+0k 0+72io 0pf+0w error: command /home/mahabub/wien2k/opticc upoptic.def failed I tried to fix the problem by following https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17555.html but I didn't find any patch file for wien2k 18.2 version. However, I rerun again from ./siteconfig for wien2k 18.2 according to above link,and found many Compile time errors in Compile time errors (if any) were:. Please help me how to solve the error issue. Looking forward for your response. Sincerely, Md Mahabub Hossain --- Md. MAHABUB HOSSAIN, PhD Associate Professor Department of Electronics and Communication Engineering, Faculty of Computer Science & Engineering Hajee Mohammad Danesh Science & Technology University Dinajpur-5200, BANGLADESH. Web: www.hstu.ac.bd<http://www.hstu.ac.bd> Another email: im.maha...@gmail.com<mailto:im.maha...@gmail.com> <mailto:im.maha...@gmail.com>
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