JDFTx Discussion

Joint Density Functional Theory

Brought to you by: shankar1729

General Discussion

Topic	Posts	Views	Last Post
Convenient way to reach output Data By Jan Lennart Winter on Thu May 11, 2017 10:28 AM	3	436	By Jan Lennart Winter on Fri May 12, 2017 06:14 PM
Band structure calculations on Tungsten By Jan Lennart Winter on Sat Mar 25, 2017 09:44 PM	5	421	By Jan Lennart Winter on Wed Apr 26, 2017 09:24 AM
Plotting Data on cygwin using gnuplot By Jan Lennart Winter on Wed Mar 01, 2017 05:17 PM	1	191	By Jan Lennart Winter on Wed Mar 01, 2017 05:17 PM
Error 128 tcp_peer_send_blocking By Jan Lennart Winter on Sat Feb 11, 2017 05:59 PM	6	554	By Ravishankar Sundararaman on Tue Feb 14, 2017 12:00 AM
Error compiling jdftx By Weiliang Wang on Tue Jan 24, 2017 02:12 AM	7	515	By Weiliang Wang on Mon Feb 06, 2017 07:46 AM
Problems when using pseudopotential from quantum-espresso repository By Ximik on Thu Jun 16, 2016 01:36 PM	7	1021	By Ximik on Thu Sep 22, 2016 12:18 PM
Important features: which of them are implemented/planned? By Ximik on Thu May 22, 2014 10:46 AM	32	2492	By Ximik on Fri Sep 16, 2016 01:48 PM
IonicMinimize Stopped By Yunhao Zhao on Thu Aug 04, 2016 09:06 PM	46	1925	By Ravishankar Sundararaman on Tue Sep 13, 2016 10:35 PM
=?UTF-8?B?Y29tcGlsYXRpb24gZXJyb3I=?= By Soonho Kwon on Mon Aug 01, 2016 06:21 AM	3	249	By Soonho Kwon on Sat Aug 13, 2016 03:30 AM
Bulk fluid is non-neutral By Yu Xie on Mon Jun 13, 2016 08:31 PM	1	171	By Yu Xie on Mon Jun 13, 2016 08:31 PM
Tips and tricks By Ximik on Wed Mar 16, 2016 02:04 PM	2	407	By Ravishankar Sundararaman on Thu Mar 17, 2016 12:17 AM
ab-initio molecular dynamics in JDFTx? By Chi-Ta Yang on Thu Dec 03, 2015 07:39 PM	6	569	By Chi-Ta Yang on Wed Dec 09, 2015 03:59 PM
Questions about the postprocedures in JDFTx By Artem on Thu Oct 22, 2015 09:35 PM	10	751	By Artem on Thu Nov 26, 2015 12:41 AM
New pseudopotential library for rare earths found By Ximik on Mon Nov 23, 2015 10:45 AM	3	369	By Ximik on Wed Nov 25, 2015 04:21 PM
Always segmentation fault By SUN Sheng on Mon Nov 02, 2015 09:54 AM	8	451	By SUN Sheng on Wed Nov 11, 2015 05:57 AM
Troubles with building jdftx By Ximik on Tue Apr 07, 2015 12:13 PM	79	4700	By Ximik on Tue Nov 10, 2015 05:26 PM
memory management? By feng zimin on Thu Oct 01, 2015 01:52 PM	15	591	By Ravishankar Sundararaman on Tue Oct 20, 2015 10:48 PM
Questions, related to DOS By Ximik on Thu Mar 05, 2015 02:42 PM	16	1288	By Ximik on Tue Jun 30, 2015 10:49 AM
geometry optimization of molecular species By satish on Wed Jun 24, 2015 03:33 PM	7	781	By Ravishankar Sundararaman on Wed Jun 24, 2015 07:28 PM
Issue with compiling JDFTx in TACC Stampede and SDSC Gordon By satish on Mon Jun 01, 2015 02:44 PM	2	180	By Ravishankar Sundararaman on Wed Jun 03, 2015 02:47 PM
Running time on different machines By Michele Renda on Mon May 11, 2015 10:40 AM	15	476	By Ravishankar Sundararaman on Fri May 15, 2015 03:43 PM
Instruction to compile JDFTx in Debian 8 By Michele Renda on Fri May 08, 2015 09:44 AM	2	139	By Ravishankar Sundararaman on Fri May 08, 2015 01:30 PM
Vaspsol By satish on Sun Feb 15, 2015 09:10 PM	3	756	By Deniz Gunceler on Mon Feb 16, 2015 02:43 PM
?BUG in test suite JDFTx 0.99.alpha (svn revision 1091) By Ximik on Thu Feb 05, 2015 02:10 PM	3	568	By Ximik on Fri Feb 06, 2015 12:50 PM
unable to reproduce the adsorption energy of o2 on Pd(111) By satish on Tue Feb 03, 2015 02:11 AM	3	363	By satish on Tue Feb 03, 2015 04:02 AM

Topic

Posts

Views

Last Post