[Wien] optimization notes- Marks2004

2011-09-17 Thread Viktor Zano
I am running wien version 10.1 on a Intel machine (quad-?core) with operating system ubunto 10.04 LTS (the Lucid lynx). The purpose of my calculations is relaxation of the structure (mini positions).? Since it didn't converge, I used Prof. Marks "optimization notes": I used lower k-points (30 in

[Wien] optimization notes- Marks2004

2011-09-17 Thread Laurence Marks
Do "ls .min* " -- the file is .min_hess not case.min_hess Files with a "." in front of them often are hidden, i.e. they do not show up with a normal ls command. 2011/9/17 Viktor Zano : > I am running wien version 10.1 on a Intel machine (quad-?core) with > operating system ubunto 10.04 LTS (the L

[Wien] optimization notes- Marks2004

2011-09-17 Thread Viktor Zano
Sorry, Prof. Marks Can't understand the answer. - Original Message - From: Laurence Marks Date: Saturday, September 17, 2011 17:15 Subject: Re: [Wien] optimization notes- Marks2004 To: A Mailing list for WIEN2k users > Do "ls .min* " -- the file is .min_hess

[Wien] optimization notes- Marks2004

2011-09-18 Thread Viktor Zano
ptember 17, 2011 17:15 Subject: Re: [Wien] optimization notes- Marks2004 To: A Mailing list for WIEN2k users > Do "ls .min* " -- the file is .min_hess not case.min_hess > > Files with a "." in front of them often are hidden, i.e. they do not > show up with a normal

[Wien] optimization notes- Marks2004

2011-09-18 Thread Gavin Abo
; What is the meaning of "*" after "min"? > Is this a way to show the hidden file or execute? > Which files to keep and which to delete? > > - Original Message - > From: Laurence Marks > Date: Saturday, September 17, 2011 17:15 > Subject: Re: [Wien]

[Wien] optimization notes- Marks2004

2011-09-18 Thread Viktor Zano
Dear Gavin Thanks for your help!!! - Original Message - From: Gavin Abo Date: Sunday, September 18, 2011 18:54 Subject: Re: [Wien] optimization notes- Marks2004 To: A Mailing list for WIEN2k users > Hi Viktor, > > Yes, enter "ls .min*" in the command line in