[Wien] for inorb file

2011-10-23 Thread kangb...@lycos.co.kr
An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111022/46064a3a/attachment.htm

[Wien] for inorb file

2011-10-22 Thread kangb...@lycos.co.kr
An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111022/a26058c8/attachment.htm

[Wien] for inorb file

2011-10-22 Thread t...@theochem.tuwien.ac.at
Yes it is right. On Sat, 22 Oct 2011, kangbugy at lycos.co.kr wrote: Hi, userguides I have a another question. We have to copy the inorb and indm file to calculate LDA +U. For inorb - 1 2 0 nmod,

[Wien] for inorb file

2011-10-22 Thread quanyundi
Which version are you using? Why do you have ipr? On Oct 22, 2011, at 1:33 AM, kangbugy at lycos.co.kr kangbugy at lycos.co.kr wrote: Hi, userguides I have a another question. We have to copy the inorb and indm file to calculate LDA +U. For inorb

[Wien] for inorb file

2011-10-22 Thread quanyundi
The last parameter at the end of the first line in your in inorb file is ipr. I've never seen it in my inorb file. That's why I want to know what it stands for. On Oct 22, 2011, at 7:54 AM, kangbugy at lycos.co.kr kangbugy at lycos.co.kr wrote: It's 10.1(release 7/6/2010). I'm sorry, but I