Re: [Wien] SCF Cycle's problem at WIEN2k 19.1

only files with "x" permisions can be executed. chmod +x x_lapw Am 15.10.2019 um 05:02 schrieb 河上　匠: Hello, The file x_lapw and its link x exist in /home/tokunaga/wien2k/ . Also when I listed the directory of /home/tokunaga/wien2k/ with "ls -l", I was able to confirm the

Re: [Wien] SCF Cycle's problem at WIEN2k 19.1

: /home/tokunaga/wien2k/x_lapw /home/tokunaga/wien2k/x -> x_lapw On Friday 2019-10-11 09:58, 河上　匠 wrote: Date: Fri, 11 Oct 2019 09:58:39 From: 河上　匠 Reply-To: A Mailing list for WIEN2k users To: A Mailing list for WIEN2k users Subject: Re: [Wien] SCF Cycle's problem at WIEN2k 19.1 Thank yo

Re: [Wien] SCF Cycle's problem at WIEN2k 19.1

@zeus.theochem.tuwien.ac.at/msg18771.html As written, delete 15,'$file.tmp$updn', 'scratch','unformatted',0 in the file $WIENROOT/x_lapw F. Tran On Thursday 2019-10-10 09:05, 河上　匠 wrote: Date: Thu, 10 Oct 2019 09:05:55 From: 河上　匠 Reply-To: A Mailing list for WIEN2k users To: wien

[Wien] SCF Cycle's problem at WIEN2k 19.1

Dear WIEN2k users, I am a beginner of WIEN2k. I am trying to calculate TiC, but the error occurred during processing of SCF Cycle. In show STDOUT, SCF Cycle stops at the next step: hup: Command not found. STOP LAPW0 END STOP LAPW1 END STOP LAPW2 - Error. Check file lapw2.error stop