Hello Abo Following your advise now I am doing my calculation correctly. Thank
you
Regards Tankhilaa
On Thursday, May 21, 2015 11:22 PM, Gavin Abo gs...@crimson.ua.edu wrote:
Yes, you can run x pairhess -copy in a terminal.
or
In w2web, you can click single prog. under
Instead of doing delta=0, set the first 3 numbers to zero (if you are
fixing x,y z), i.e.
0.0 0.0 0.0 1.0 #Atom1 Generated by pairhess
On Thu, May 21, 2015 at 12:43 PM, B Tankhilsaihan tankhi...@yahoo.com
wrote:
Dear Abo
thank you for your reply
I am using w2web. But i do not
Dear Abo thank you for your reply I am using w2web. But i do not understand how
to run x pairhess -copy. Do i need to run it from terminal? I am newby for
Wien2k can you give me some instuction to run x pairhess -copy?
Best regardsBatsaikhan.T
On Thursday, May 21, 2015 6:53 PM, Gavin
After you edited case.inM, did you run x pairhess -copy as it mentions
in the post at:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07226.html
On 5/21/2015 9:19 AM, B Tankhilsaihan wrote:
Hello Dear Peter Blaha
I am running on WIEN2k_13.01 version
The purpose of my
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