QWalk user's group

thanks a lot! I am interested mainly in the possibility of calculating the EKT energies of solids. In

Thank you Huihuo, this was indeed the problem! On Thursday, September 26, 2019 at 5:28:24 PM UTC-4,

Dear Lucas ?I want to use QWalk to do some calculations for solids. Please, are there any examples to

Hi Frances, Thanks for getting in touch. You can look in the tests/ directory for a few files (h2 for

US Congressional Hearing of Saudi billionaire" maan Al Sanea " and Money Laundering with

Hi Lucas I'm sorry for sending the same question but I have connected with gamess users. All

Thank you very much Lucas Regards Nagat بتاريخ الاثنين، 11 سبتمبر، 2017 12:03:36 م UTC+2، كتب Nagat

Thanks for these helpful information! Best, Lesheng On Thursday, May 25, 2017 at 12:24:20 PM UTC-4,

Hi Federico and Lucas, Thanks for your reply. I have tried the suggestion from Federico, and it works

Hi Leshing, Your first excitation energy is a reasonable try. You may not obtain a very good answer

Hi Nagat, Try using just regular CI first, please. MCSCF probably won't help you too much for the

Hi Nagat, I just realized this was a different question. Yes, if you want to know the potential

بتاريخ الأربعاء، 13 يوليو، 2016 12:15:31 ص UTC-7، كتب Nagat Elkahwagy: Hi Lucas I want to determine

Hi Lucas Thank you by your feedback, errors bar are now included in attached file. But I understand

Hi Lucas Thank you by your quick answer and hints. I will install new version and solve syntax errors

Sorry for inconvenience, file related to 2nd problem can be downloaded from here : https://drive.

I didn't test it on multiple computers or without BLAS. I would have thought if it worked on real

Thank you very much Lucas Regards Nagat بتاريخ الجمعة، 18 مارس، 2016 12:24:32 ص UTC-7، كتب Nagat

Will do. On Wednesday, February 24, 2016 at 9:15:23 PM UTC-6, Lucas wrote: Works fine for me. Please

Thank you very much Lucas Bests Nagat بتاريخ السبت، 30 يناير، 2016 9:55:34 ص UTC-8، كتب Nagat

Hi Jae, save_trace is only in the GitHub version, so that's why. Cheers, Lucas On Fri, Jan 29,

Hi Jae, It's very difficult to debug problems without more information than this. Try to think

Thanks Jae! On Tue, Nov 3, 2015 at 2:12 PM, JaeHyung Yu <yuj...@gmail.com> wrote: Hi Lucas, I

Hi Lucas Thank you, I misunderstand the tutorial. Best Regards Marc On Tue, Sep 29, 2015 at 10:22 PM,

Hi Michal, The truth is that I probably used the wrong $VEC group the CI *.dat file at the time I was

The problem turned out to be an external issue and is now resolved. On Wednesday, September 2, 2015

Hi Alex, Sorry about that, it appears that google group's spam filter is a little overzealous.

Hi Alex, Could you post your input files (just the text), and what systems you're doing/how many

Hi Lucas, You were right! It turns out that GAMESS is somehow messing up the Hydrogen ECP

OK, thanks again for your help. -Alex On Tuesday, July 7, 2015 at 1:50:24 PM UTC-5, Lucas wrote: Hi