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

2019-10-15 Thread 河上 匠
2k users To: A Mailing list for WIEN2k users Subject: Re: [Wien] SCF Cycle's problem at WIEN2k 19.1 Thank you your advise, Mr.Tran. I deleted it in x_lapw: 15,'$file.tmp$updn',   'scratch','unformatted',0 But, in show STDOUT, SCF Cycle stops again at the next step: hup: Command not

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

2019-10-15 Thread Peter Blaha
unaga/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 you your advise, Mr.Tran. I deleted it i

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

2019-10-14 Thread 河上 匠
: /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

2019-10-11 Thread tran
8:39 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 you your advise, Mr.Tran. I deleted it in x_lapw: 15,'$file.tmp$updn', 'scratch','unformatted',0 But, in show STDOUT, SCF Cycl

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

2019-10-11 Thread 河上 匠
Thank you your advise, Mr.Tran. I deleted it in x_lapw: 15,'$file.tmp$updn', 'scratch','unformatted',0 But, in show STDOUT, SCF Cycle stops again at the next step: hup: Command not found. /home/tokunaga/wien2k/x: 險ア蜿ッ縺後≠繧翫∪縺帙s. In addition, when the initialize calculation is repeated

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

2019-10-10 Thread tran
Hi, The solution should be here: https://www.mail-archive.com/wien@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