The CASINO program

New Topic

167 topics

Topics

Replies

Views

Last post

request for additional rule in CASL JASTROW

Last post by Vladimir_Konjkov « Thu Jul 13, 2017 8:33 am
Replies: 1
by Vladimir_Konjkov » Fri Jun 23, 2017 2:15 pm

1 Replies

42327 Views

Last post by Vladimir_Konjkov
Thu Jul 13, 2017 8:33 am
runtime error for 12 determinants wfn

Last post by Vladimir_Konjkov « Thu Jul 06, 2017 1:14 pm
Replies: 5
by Vladimir_Konjkov » Fri Jun 30, 2017 1:18 pm

5 Replies

52402 Views

Last post by Vladimir_Konjkov
Thu Jul 06, 2017 1:14 pm
Rules for term Rank: [ 3, 1 ]

Last post by Vladimir_Konjkov « Thu May 18, 2017 10:05 am
Replies: 2
by Vladimir_Konjkov » Thu May 18, 2017 8:39 am

2 Replies

41767 Views

Last post by Vladimir_Konjkov
Thu May 18, 2017 10:05 am
Indexes in correlation.data file

Last post by Vladimir_Konjkov « Sun Apr 30, 2017 2:26 am
Replies: 2
by Vladimir_Konjkov » Sat Apr 29, 2017 5:24 pm

2 Replies

40362 Views

Last post by Vladimir_Konjkov
Sun Apr 30, 2017 2:26 am
Optimization of pairing orbitals for symmetric e-h bilayer.

Last post by Sharma_Omprakash « Fri Mar 31, 2017 2:04 pm
Replies: 5
by Sharma_Omprakash » Fri Mar 03, 2017 11:29 am

5 Replies

42341 Views

Last post by Sharma_Omprakash
Fri Mar 31, 2017 2:04 pm
Regarding walltime for long queue

Last post by Neil Drummond « Thu Mar 30, 2017 10:59 am
Replies: 9
by vinod_ashokan » Fri Mar 03, 2017 6:49 am

9 Replies

54638 Views

Last post by Neil Drummond
Thu Mar 30, 2017 10:59 am
runqmc stops without any error.

Last post by Neil Drummond « Sun Jan 08, 2017 8:36 pm
Replies: 7
by Sharma_Omprakash » Sat Jan 07, 2017 4:55 pm

7 Replies

47080 Views

Last post by Neil Drummond
Sun Jan 08, 2017 8:36 pm
getdet script

Last post by Pablo_Lopez_Rios « Wed Dec 28, 2016 4:22 pm
Replies: 5
by s.nasiri » Tue Dec 27, 2016 5:50 pm

5 Replies

35740 Views

Last post by Pablo_Lopez_Rios
Wed Dec 28, 2016 4:22 pm
Orbital optimization of the electron-hole system

Last post by braulio « Fri Dec 23, 2016 12:19 pm
Replies: 5
by braulio » Wed Nov 23, 2016 4:19 pm

5 Replies

35358 Views

Last post by braulio
Fri Dec 23, 2016 12:19 pm
Using casino for nuclear physics

Last post by Shiv Upadhyay « Thu Dec 22, 2016 8:45 pm
Replies: 1
by Shamil » Thu Dec 22, 2016 7:10 pm

1 Replies

24754 Views

Last post by Shiv Upadhyay
Thu Dec 22, 2016 8:45 pm
Simple question about twistav_pwscf script

Last post by Tomohiro Ichibha « Tue Dec 20, 2016 8:01 am
Replies: 1
by Tomohiro Ichibha » Sat Dec 10, 2016 6:36 am

1 Replies

23144 Views

Last post by Tomohiro Ichibha
Tue Dec 20, 2016 8:01 am
Question about dtdmc

Last post by Ryan_Hunt « Mon Dec 19, 2016 7:01 pm
Replies: 5
by Ivan_Veloso » Mon Dec 19, 2016 12:20 pm

5 Replies

32516 Views

Last post by Ryan_Hunt
Mon Dec 19, 2016 7:01 pm
[Known Bug] Warning for numerical orbital users

Last post by Mike Towler « Mon Nov 21, 2016 12:10 pm
Replies: 1
by Ryan_Hunt » Fri Nov 18, 2016 6:06 pm

1 Replies

17682 Views

Last post by Mike Towler
Mon Nov 21, 2016 12:10 pm
The blip trial wave function

Last post by Neil Drummond « Wed Nov 02, 2016 10:24 pm
Replies: 7
by Nguyen_Oanh » Mon Oct 31, 2016 4:54 am

7 Replies

31175 Views

Last post by Neil Drummond
Wed Nov 02, 2016 10:24 pm
Problem with runqmc script

Last post by Jonasz_Sowada « Sat Oct 29, 2016 7:15 pm
Replies: 2
by Jonasz_Sowada » Sat Oct 22, 2016 9:20 pm

2 Replies

16398 Views

Last post by Jonasz_Sowada
Sat Oct 29, 2016 7:15 pm
Compiling CASINO on Bluegene/Cetus

Last post by Kayahan « Thu Oct 27, 2016 7:24 pm
Replies: 1
by Kayahan » Fri Sep 30, 2016 3:35 pm

1 Replies

13059 Views

Last post by Kayahan
Thu Oct 27, 2016 7:24 pm
Calc. dying with memory issues after exec. of several blocks

Last post by Katharina Doblhoff « Thu Oct 27, 2016 6:43 am
Replies: 5
by Katharina Doblhoff » Tue Oct 25, 2016 11:55 am

5 Replies

21698 Views

Last post by Katharina Doblhoff
Thu Oct 27, 2016 6:43 am
Errors in Dos format

Last post by Mike Towler « Wed Oct 26, 2016 9:18 am
Replies: 1
by Nguyen_Oanh » Wed Oct 26, 2016 7:15 am

1 Replies

13709 Views

Last post by Mike Towler
Wed Oct 26, 2016 9:18 am
The eror from the trial wave function from Quantum espresso

Last post by Nguyen_Oanh « Tue Oct 18, 2016 10:46 am
Replies: 7
by Nguyen_Oanh » Tue Oct 18, 2016 6:27 am

7 Replies

20494 Views

Last post by Nguyen_Oanh
Tue Oct 18, 2016 10:46 am
How to draw band gap of sillicon from resulst

Last post by Nguyen_Oanh « Fri Sep 23, 2016 4:37 am
Replies: 10
by Nguyen_Oanh » Tue Sep 13, 2016 1:05 am
1

2
10 Replies

34685 Views

Last post by Nguyen_Oanh
Fri Sep 23, 2016 4:37 am
Peak at block length v.s. on-the-fly method

Last post by Katharina Doblhoff « Tue Aug 30, 2016 2:03 pm
Replies: 5
by Tomohiro Ichibha » Sat Aug 27, 2016 1:15 pm

5 Replies

19234 Views

Last post by Katharina Doblhoff
Tue Aug 30, 2016 2:03 pm
Simulation cell and primitive cell

Last post by Sharma_Omprakash « Wed Aug 10, 2016 10:22 am
Replies: 5
by Jhalak » Tue Jun 18, 2013 2:02 pm

5 Replies

23362 Views

Last post by Sharma_Omprakash
Wed Aug 10, 2016 10:22 am
Twist averaging and wfn conversion in CRYSTAL09

Last post by Mike Towler « Mon Aug 01, 2016 9:03 pm
Replies: 5
by Kayahan » Fri Jul 29, 2016 5:35 pm

5 Replies

20381 Views

Last post by Mike Towler
Mon Aug 01, 2016 9:03 pm
CASINO installation problem

Last post by Shiv Upadhyay « Tue Jul 19, 2016 12:23 am
Replies: 1
by Victor_Pina » Mon Jul 18, 2016 8:23 pm

1 Replies

10609 Views

Last post by Shiv Upadhyay
Tue Jul 19, 2016 12:23 am
varmin, varmin-linjas

Last post by Katharina Doblhoff « Mon Jul 04, 2016 2:46 pm
Replies: 8
by Katharina Doblhoff » Mon Jul 04, 2016 7:51 am

8 Replies

26496 Views

Last post by Katharina Doblhoff
Mon Jul 04, 2016 2:46 pm
Plotting charge density isosurface

Last post by Samkchang « Wed Jun 29, 2016 10:08 am
Replies: 2
by Kayahan » Wed Feb 19, 2014 10:26 pm

2 Replies

18874 Views

Last post by Samkchang
Wed Jun 29, 2016 10:08 am
Jastrow H-term for Positronic Systems

Last post by Mike Towler « Tue May 31, 2016 8:51 pm
Replies: 3
by abd43 » Thu May 26, 2016 5:21 pm

3 Replies

14791 Views

Last post by Mike Towler
Tue May 31, 2016 8:51 pm
How to determine multideterminant coefficients ?

Last post by zhaominjia « Sat May 28, 2016 8:13 am
Replies: 10
by zhaominjia » Thu May 19, 2016 12:05 pm
1

2
10 Replies

34885 Views

Last post by zhaominjia
Sat May 28, 2016 8:13 am
orbital optimized trial WFN

Last post by Vladimir_Konjkov « Tue Apr 26, 2016 4:19 am
Replies: 1
by Vladimir_Konjkov » Thu Feb 11, 2016 5:54 am

1 Replies

9856 Views

Last post by Vladimir_Konjkov
Tue Apr 26, 2016 4:19 am
SG-15 Norm Conserving PP

Last post by Katharina Doblhoff « Sat Apr 23, 2016 6:28 am
Replies: 1
by Kayahan » Fri Apr 22, 2016 8:43 pm

1 Replies

10142 Views

Last post by Katharina Doblhoff
Sat Apr 23, 2016 6:28 am
Tmoves in large systems

Last post by Kevin_Gasperich « Sat Apr 16, 2016 6:34 pm
Replies: 7
by Katharina Doblhoff » Tue Apr 12, 2016 8:07 am

7 Replies

22807 Views

Last post by Kevin_Gasperich
Sat Apr 16, 2016 6:34 pm
vmc memory usage

Last post by Mike Towler « Fri Apr 08, 2016 11:11 am
Replies: 6
by Katharina Doblhoff » Wed Mar 02, 2016 3:24 pm

6 Replies

22358 Views

Last post by Mike Towler
Fri Apr 08, 2016 11:11 am
CASINO/PWSCF interface error

Last post by Eric_Fadel « Wed Mar 16, 2016 11:42 pm
Replies: 3
by Eric_Fadel » Tue Mar 15, 2016 4:39 pm

3 Replies

14177 Views

Last post by Eric_Fadel
Wed Mar 16, 2016 11:42 pm
restarting optimization after timeout

Last post by Katharina Doblhoff « Mon Mar 14, 2016 8:30 am
Replies: 2
by Katharina Doblhoff » Fri Mar 11, 2016 2:52 pm

2 Replies

10561 Views

Last post by Katharina Doblhoff
Mon Mar 14, 2016 8:30 am
trial wavefunctions for twistaveraging

Last post by Luke_Shulenberger « Wed Mar 02, 2016 4:39 pm
Replies: 6
by Katharina Doblhoff » Tue Feb 16, 2016 12:52 pm

6 Replies

17971 Views

Last post by Luke_Shulenberger
Wed Mar 02, 2016 4:39 pm
QMC on large systems

Last post by Katharina Doblhoff « Wed Feb 10, 2016 1:02 pm
Replies: 8
by Shiv Upadhyay » Mon Jan 11, 2016 2:41 am

8 Replies

24380 Views

Last post by Katharina Doblhoff
Wed Feb 10, 2016 1:02 pm
Something about ewald fortran code

Last post by Yecheng_Zhou « Sun Jan 31, 2016 11:07 pm
Replies: 4
by Yecheng_Zhou » Fri Jan 29, 2016 2:42 am

4 Replies

15426 Views

Last post by Yecheng_Zhou
Sun Jan 31, 2016 11:07 pm
generic Jastrow

Last post by Pablo_Lopez_Rios « Mon Jan 04, 2016 9:41 am
Replies: 9
by Roman_Nazarov » Thu Aug 28, 2014 5:17 am

9 Replies

25383 Views

Last post by Pablo_Lopez_Rios
Mon Jan 04, 2016 9:41 am
Molecules adsorbed on metal surfaces

Last post by Philip_Hoggan « Wed Nov 11, 2015 5:18 pm
Replies: 2
by Mdeible » Wed Nov 11, 2015 1:53 am

2 Replies

11228 Views

Last post by Philip_Hoggan
Wed Nov 11, 2015 5:18 pm
VMC energy doesn't equal SCF one.

Last post by Mike Towler « Sat Aug 08, 2015 11:03 am
Replies: 7
by Tomohiro Ichibha » Fri Jul 10, 2015 3:21 am

7 Replies

21762 Views

Last post by Mike Towler
Sat Aug 08, 2015 11:03 am
variance minimization in Casion

Last post by Vladimir_Konjkov « Mon Jul 27, 2015 12:51 pm
Replies: 1
by Katharina Doblhoff » Mon Jul 27, 2015 12:18 pm

1 Replies

9483 Views

Last post by Vladimir_Konjkov
Mon Jul 27, 2015 12:51 pm
Probable population explosion occurs

Last post by Neil Drummond « Mon Jul 13, 2015 9:35 am
Replies: 3
by Tomohiro Ichibha » Fri Jul 10, 2015 2:42 am

3 Replies

13198 Views

Last post by Neil Drummond
Mon Jul 13, 2015 9:35 am
Exporting data from expval.dat

Last post by Lean_Peria « Sat Jul 04, 2015 2:08 pm
Replies: 5
by Lean_Peria » Wed Jun 24, 2015 7:43 am

5 Replies

17913 Views

Last post by Lean_Peria
Sat Jul 04, 2015 2:08 pm
Optimized decorrelation period

Last post by Mike Towler « Tue Jun 30, 2015 7:12 am
Replies: 3
by Katharina Doblhoff » Mon Jun 22, 2015 4:41 pm

3 Replies

13839 Views

Last post by Mike Towler
Tue Jun 30, 2015 7:12 am
Cutoff lengths in the Jastrow factor

Last post by Neil Drummond « Thu Jun 18, 2015 10:37 pm
Replies: 12
by Sweyn Asleifsson » Tue Jun 11, 2013 11:20 am
1

2
12 Replies

47762 Views

Last post by Neil Drummond
Thu Jun 18, 2015 10:37 pm
Equilibration vs statistics accumulation steps in DMC

Last post by Mike Towler « Sun Jun 07, 2015 10:01 am
Replies: 6
by Vladimir_Konjkov » Sun May 31, 2015 9:12 am

6 Replies

20058 Views

Last post by Mike Towler
Sun Jun 07, 2015 10:01 am
pressure and temperature

Last post by Subhodip_Chatterjee « Thu Jun 04, 2015 9:26 am
Replies: 2
by Subhodip_Chatterjee » Thu Jun 04, 2015 8:19 am

2 Replies

10639 Views

Last post by Subhodip_Chatterjee
Thu Jun 04, 2015 9:26 am
gaussiantoqmc

Last post by Subhodip_Chatterjee « Wed Jun 03, 2015 9:52 am
Replies: 2
by Subhodip_Chatterjee » Wed Jun 03, 2015 8:11 am

2 Replies

10827 Views

Last post by Subhodip_Chatterjee
Wed Jun 03, 2015 9:52 am
CASSCF computation

Last post by Katharina Doblhoff « Fri May 29, 2015 6:14 pm
Replies: 8
by s.nasiri » Sun May 24, 2015 6:34 am

8 Replies

21838 Views

Last post by Katharina Doblhoff
Fri May 29, 2015 6:14 pm
CASINO on scratch directory

Last post by Mike Towler « Tue May 26, 2015 7:06 am
Replies: 1
by Katharina Doblhoff » Mon May 25, 2015 4:08 pm

1 Replies

9972 Views

Last post by Mike Towler
Tue May 26, 2015 7:06 am

New Topic

167 topics

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum