Multiwfn forum
Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
- Topics: Active | Unanswered
Pages: 1
#1 Re: Multiwfn and wavefunction analysis » maos installation » 2018-04-26 18:50:34
Dear Tian, thank you for your patience, I did not read up to that lines 
It finally worked, unfortunately, still not correctly: I followed the 2-aminopyridoxine.. example, it was ok, but no GUI popped up (_XmGetDefaultDisplay cannot be used prior to VendorS.Initialize, returns NULL. Error: Couldn't find per display information).
I would greatly appreciate if mac users could suggest the way to fix it.
#2 Re: Multiwfn and wavefunction analysis » maos installation » 2018-04-19 10:03:57
Thank you, Tian. I will think of it.
Meanwhile I tried the recipe from here: https://wiki.ch.ic.ac.uk/wiki/index.php … d:multiwfn
I was stuck at (13), because the Multiwfc package from //www.umsyar.com/multiwfn/ does not contain libiomp5.dylib. And the full link for codeplex link is broken.
Could you please provide packages that were referred to in (13) and (17)?
#3 Re: Multiwfn and wavefunction analysis » maos installation » 2018-04-19 06:11:06
Dear Tian,
Thank you for the respond.
I am still struggling with the installation...:-(
I would like to study weak "noncovalent" interactions with interstitial defects in solid periodic systems. Prior to study the lagrangian values of bond critical points I need to find minimum energy systems with such defects (in big non-symmetrical supercells there are plenty of options..). It is very reasonable to put positive/negative interstitial in the "empty" crystal space near the accumulated/depleted charge density and only than optimize the nuclear geometry (to start right from the nearest structure to the global minimum energy one and avoid plenty of unnecessary "blind" optimizations). Could you please suggest best approach to do it with Multiwfc tools?
Thanks in advance.
#4 Multiwfn and wavefunction analysis » maos installation » 2018-04-15 15:25:49
- alexandrao2
- Replies: 6
Hi dear Multiwfc users,
Can please somebody help me with its installation on mac OS?
Like it was suggested in manual, I downloaded the latest available openmotif (http://www.ist-inc.com/motif/download/m … sx10.5.dmg), but unfortunately, on mac OS Sierra 10.12.6 the installation crashes.
What can I use instead of it or how can I deal with this issue?
Thanks in advance,
Alex.
Pages: 1