<![CDATA[Multiwfn forum / << Multiwfn + CRYSTAL14 >>]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=80 >.]]> Mon, 28 Jan 2019 20:41:40 +0000 FluxBB <![CDATA[Re: << Multiwfn + CRYSTAL14 >>]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=398#p398 Hello

I am also using CRYSTAL and a good way to get around this issue is by using CRYSTAL output optimized geometries as input to gamess (free) and generate a *wfn file (single energy calculations). This *wfn file can be read by Multiwfn.

Thank you,

Nick

]]> Mon, 28 Jan 2019 20:41:40 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=398#p398 <![CDATA[Re: << Multiwfn + CRYSTAL14 >>]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=243#p243 Dear Camps,

Currently wavefunction outputted by CRYSTAL is not supported, sorry!

Best regards,

Tian

]]> Fri, 21 Sep 2018 11:05:26 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=243#p243 <![CDATA[<< Multiwfn + CRYSTAL14 >>]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=242#p242 Hello,

I wonder if it is possible to use Multiwfn with the CRYSTAL14 wavefunction output.
(some calculations are made for periodic systems)

Regards,

Camps

]]> Thu, 20 Sep 2018 22:51:16 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=242#p242