The error message indicates that there is a problem with your input file ?abc.inkram?. Show us this file.
________________________________ From: Wien <[email protected]> on behalf of Chukwuemeka Okoye <[email protected]> Sent: Sunday, August 9, 2020 11:05 AM To: A Mailing list for WIEN2k users Subject: Re: [Wien] Calculating x kram with intra-band contribution Hi, Please find the error on the screen: xx zz Energy units: [eV] Lorentzian broadening with gamma: 0.100000000000000 [eV] 3501 data points ENERGY INCREMENT: 1.361000000000000E-002 forrtl: severe (59): list-directed I/O syntax error, unit 5, file /home/cmi/abc.inkram Image PC Routine Line Source kram 000000000040A2AB Unknown Unknown Unknown kram 000000000042894B Unknown Unknown Unknown kram 00000000004271B5 Unknown Unknown Unknown kram 000000000040453C MAIN__ 179 kram.f kram 0000000000403822 Unknown Unknown Unknown libc-2.31.so<http://libc-2.31.so> 0000152C6750E0B3 __libc_start_main Unknown Unknown kram 000000000040372E Unknown Unknown Unknown 0.017u 0.005s 0:00.21 4.7% 0+0k 5328+0io 20pf+0w error: command /home/cmi/wien2k/2k18v2/kram kram.def failed Thanks. CMI Okoye ------------------------------ Chukwuemeka M I Okoye Department of Physics and Astronomy, University of Nigeria, Nsukka, Enugu State, Nigeria Telephone: +234 7038766990 E-mail: [email protected]<mailto:[email protected]> On Sun, Aug 9, 2020 at 10:02 AM Tran, Fabien <[email protected]<mailto:[email protected]>> wrote: Hi, What is the error message (either on the screen or in kram.error)?? ________________________________ From: Wien <[email protected]<mailto:[email protected]>> on behalf of Chukwuemeka Okoye <[email protected]<mailto:[email protected]>> Sent: Sunday, August 9, 2020 10:59 AM To: A Mailing list for WIEN2k users Subject: [Wien] Calculating x kram with intra-band contribution Dear all, I am trying to calculate optical properties for a spin-polarized half-metal. x optic, x joint ( with both options 6 & 4 as specified) all ran smoothly. Without intra-band i.e 0 in line 3 of inkram, x kram executed smoothly also. However, when intra-band contribution is added by using '1' as input in line 3 of inkram, x kram failed. Please, I need assistance to overcome this. Regards CMI Okoye ------------------------------ Chukwuemeka M I Okoye Department of Physics and Astronomy, University of Nigeria, Nsukka, Enugu State, Nigeria Telephone: +234 7038766990 E-mail: [email protected]<mailto:[email protected]> _______________________________________________ Wien mailing list [email protected]<mailto:[email protected]> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
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