The CASINO program

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scaling of casino

Last post by Katharina Doblhoff « Mon Dec 01, 2014 3:07 pm
Replies: 4
by Katharina Doblhoff » Fri Nov 28, 2014 1:59 pm

4 Replies

4749 Views

Last post by Katharina Doblhoff
Mon Dec 01, 2014 3:07 pm
varmin_linjas stops execution

Last post by Neil Drummond « Fri Nov 28, 2014 11:56 pm
Replies: 1
by Katharina Doblhoff » Wed Nov 26, 2014 10:21 am

1 Replies

3184 Views

Last post by Neil Drummond
Fri Nov 28, 2014 11:56 pm
bwfn from pw-scf

Last post by Katharina Doblhoff « Fri Nov 28, 2014 1:14 pm
Replies: 1
by Katharina Doblhoff » Wed Nov 19, 2014 11:38 am

1 Replies

3607 Views

Last post by Katharina Doblhoff
Fri Nov 28, 2014 1:14 pm
Hugepages error

Last post by Mike Towler « Mon Nov 17, 2014 5:09 pm
Replies: 1
by Kayahan » Tue Nov 11, 2014 7:35 pm

1 Replies

3583 Views

Last post by Mike Towler
Mon Nov 17, 2014 5:09 pm
Reblock convergence with large number of walkers

Last post by Neil Drummond « Mon Oct 06, 2014 9:56 pm
Replies: 1
by Kayahan » Mon Oct 06, 2014 5:01 pm

1 Replies

3294 Views

Last post by Neil Drummond
Mon Oct 06, 2014 9:56 pm
backflow transformation for N2

Last post by Fan_Wang « Tue Sep 30, 2014 4:18 am
Replies: 2
by Fan_Wang » Sun Sep 28, 2014 3:41 am

2 Replies

4291 Views

Last post by Fan_Wang
Tue Sep 30, 2014 4:18 am
Molecular Density?

Last post by varelse « Sun Sep 28, 2014 11:00 pm
Replies: 3
by Kayahan » Sat Sep 27, 2014 3:08 pm

3 Replies

4857 Views

Last post by varelse
Sun Sep 28, 2014 11:00 pm
Question from kindergarten – electron in a potential well

Last post by Dmitry_Zvezhinsky « Sat Sep 27, 2014 12:29 pm
Replies: 1
by Dmitry_Zvezhinsky » Sat Aug 30, 2014 7:24 pm

1 Replies

3997 Views

Last post by Dmitry_Zvezhinsky
Sat Sep 27, 2014 12:29 pm
COPY_CONFIG_FILE

Last post by Kayahan « Fri Sep 26, 2014 6:02 pm
Replies: 4
by Kayahan » Thu Sep 25, 2014 12:57 am

4 Replies

5568 Views

Last post by Kayahan
Fri Sep 26, 2014 6:02 pm
Pseudopotential errors

Last post by varelse « Sat Sep 20, 2014 9:26 pm
Replies: 4
by varelse » Tue Sep 16, 2014 5:04 pm

4 Replies

5944 Views

Last post by varelse
Sat Sep 20, 2014 9:26 pm
CASINO pseudopotential bases in DFT

Last post by Mike Towler « Thu Aug 14, 2014 6:50 am
Replies: 6
by varelse » Sat Aug 02, 2014 8:20 pm

6 Replies

7636 Views

Last post by Mike Towler
Thu Aug 14, 2014 6:50 am
how to update slater matrix and how to find the determinate

Last post by Mike Towler « Thu Aug 14, 2014 6:18 am
Replies: 1
by Navneet_Singh » Tue Aug 05, 2014 10:58 am

1 Replies

3898 Views

Last post by Mike Towler
Thu Aug 14, 2014 6:18 am
Systematic errors due to pseudopotentials

Last post by Dario_Alfe « Mon May 26, 2014 9:32 am
Replies: 3
by Philip_Hoggan » Fri May 23, 2014 12:18 pm

3 Replies

5376 Views

Last post by Dario_Alfe
Mon May 26, 2014 9:32 am
Error: compute_multiplcities

Last post by Mike Towler « Sun May 18, 2014 5:06 pm
Replies: 5
by varelse » Thu May 15, 2014 10:46 pm

5 Replies

7181 Views

Last post by Mike Towler
Sun May 18, 2014 5:06 pm
Writing wave functions "by hand"

Last post by Dmitry_Zvezhinsky « Sun May 18, 2014 7:09 am
Replies: 2
by Dmitry_Zvezhinsky » Sat May 17, 2014 6:27 pm

2 Replies

6597 Views

Last post by Dmitry_Zvezhinsky
Sun May 18, 2014 7:09 am
calculate the condensate fraction of excitons

Last post by braulio « Fri May 16, 2014 2:07 pm
Replies: 3
by braulio » Thu May 15, 2014 6:39 am

3 Replies

5673 Views

Last post by braulio
Fri May 16, 2014 2:07 pm
finite size corrections in 2D

Last post by Mike Towler « Sun May 11, 2014 8:24 am
Replies: 6
by Dario_Alfe » Tue May 06, 2014 2:52 pm

6 Replies

8001 Views

Last post by Mike Towler
Sun May 11, 2014 8:24 am
CHECK_NN, CHECK_KE

Last post by Mike Towler « Tue May 06, 2014 7:42 pm
Replies: 10
by varelse » Tue Mar 11, 2014 9:13 am
1

2
10 Replies

12820 Views

Last post by Mike Towler
Tue May 06, 2014 7:42 pm
Compiling CASINO in Windows 7

Last post by Mike Towler « Mon Apr 28, 2014 11:16 pm
Replies: 25
by Amir_Shamkhali » Thu Mar 20, 2014 12:02 pm
1

2

3
25 Replies

27412 Views

Last post by Mike Towler
Mon Apr 28, 2014 11:16 pm
NCORE parameter

Last post by Mike Towler « Mon Apr 21, 2014 12:16 pm
Replies: 9
by Kayahan » Thu Apr 17, 2014 2:04 am

9 Replies

10203 Views

Last post by Mike Towler
Mon Apr 21, 2014 12:16 pm
Transferring a simulation to a different machine

Last post by Mike Towler « Tue Mar 25, 2014 10:32 am
Replies: 2
by Philip_Hoggan » Fri Mar 21, 2014 5:05 pm

2 Replies

4754 Views

Last post by Mike Towler
Tue Mar 25, 2014 10:32 am
CASINO in a dielectric medium

Last post by Neil Drummond « Tue Mar 11, 2014 10:48 pm
Replies: 1
by Braulio_Brito » Wed Mar 05, 2014 2:54 pm

1 Replies

3835 Views

Last post by Neil Drummond
Tue Mar 11, 2014 10:48 pm
VMC energies explode

Last post by Mike Towler « Tue Mar 04, 2014 9:38 pm
Replies: 5
by Christopher_Eames » Tue Mar 04, 2014 4:22 pm

5 Replies

7188 Views

Last post by Mike Towler
Tue Mar 04, 2014 9:38 pm
Charge density for finite molecules

Last post by Yasmine_AlHamdani « Fri Feb 28, 2014 10:22 am
Replies: 4
by Yasmine_AlHamdani » Fri Feb 21, 2014 5:20 pm

4 Replies

8323 Views

Last post by Yasmine_AlHamdani
Fri Feb 28, 2014 10:22 am
Error reading file with the skip routine

Last post by Mike Towler « Tue Feb 25, 2014 3:43 pm
Replies: 3
by Christopher_Eames » Tue Feb 25, 2014 1:06 pm

3 Replies

5507 Views

Last post by Mike Towler
Tue Feb 25, 2014 3:43 pm
Long equilibration

Last post by varelse « Thu Feb 20, 2014 11:41 am
Replies: 16
by varelse » Thu Feb 06, 2014 6:58 pm
1

2
16 Replies

18325 Views

Last post by varelse
Thu Feb 20, 2014 11:41 am
Installation problems

Last post by varelse « Thu Feb 06, 2014 7:01 pm
Replies: 6
by varelse » Tue Feb 04, 2014 12:54 am

6 Replies

7582 Views

Last post by varelse
Thu Feb 06, 2014 7:01 pm
complex_wf=T

Last post by Mike Towler « Mon Feb 03, 2014 11:41 pm
Replies: 6
by Dario_Alfe » Thu Jan 30, 2014 10:53 am

6 Replies

6950 Views

Last post by Mike Towler
Mon Feb 03, 2014 11:41 pm
New vs. old keywords

Last post by Mike Towler « Wed Jan 29, 2014 2:29 pm
Replies: 7
by Mike Towler » Wed Jan 22, 2014 4:38 pm

7 Replies

9258 Views

Last post by Mike Towler
Wed Jan 29, 2014 2:29 pm
Low lying states in a transition metal oxide

Last post by Mike Towler « Tue Jan 28, 2014 1:01 pm
Replies: 10
by Christopher_Eames » Mon Jan 06, 2014 1:35 pm
1

2
10 Replies

15691 Views

Last post by Mike Towler
Tue Jan 28, 2014 1:01 pm
Zero-timestep extrapolation

Last post by Dario_Alfe « Tue Jan 14, 2014 1:45 pm
Replies: 3
by varelse » Tue Jan 14, 2014 12:49 pm

3 Replies

4772 Views

Last post by Dario_Alfe
Tue Jan 14, 2014 1:45 pm
About gaussian ang g functions

Last post by Mike Towler « Mon Jan 13, 2014 11:50 pm
Replies: 3
by Marc Segovia » Wed Jan 08, 2014 2:04 pm

3 Replies

6117 Views

Last post by Mike Towler
Mon Jan 13, 2014 11:50 pm
gaussiantoqmc test

Last post by Mike Towler « Fri Jan 03, 2014 7:05 pm
Replies: 6
by Bruno_Cramer » Sat Dec 28, 2013 8:02 pm

6 Replies

8530 Views

Last post by Mike Towler
Fri Jan 03, 2014 7:05 pm
Multiconfigurational trial wave functions from GAMESS-US

Last post by Mike Towler « Sat Nov 30, 2013 2:20 am
Replies: 8
by Andrew Powell » Fri Nov 22, 2013 10:37 pm

8 Replies

9857 Views

Last post by Mike Towler
Sat Nov 30, 2013 2:20 am
high vmc_ave_period and correlation less than 1

Last post by Neil Drummond « Fri Nov 29, 2013 3:53 pm
Replies: 1
by varelse » Thu Nov 21, 2013 1:26 pm

1 Replies

3410 Views

Last post by Neil Drummond
Fri Nov 29, 2013 3:53 pm
Rough estimate about speed of Casino

Last post by amartyabanerjee « Tue Nov 19, 2013 8:46 pm
Replies: 4
by amartyabanerjee » Tue Nov 19, 2013 12:39 am

4 Replies

7793 Views

Last post by amartyabanerjee
Tue Nov 19, 2013 8:46 pm
VMC-HF: Problem with f shell

Last post by Mike Towler « Fri Nov 08, 2013 2:52 pm
Replies: 9
by Eike Caldeweyher » Tue Sep 24, 2013 2:04 pm

9 Replies

13865 Views

Last post by Mike Towler
Fri Nov 08, 2013 2:52 pm
Stale PBS jobs

Last post by Mike Towler « Thu Nov 07, 2013 3:59 pm
Replies: 1
by defusco » Thu Nov 07, 2013 2:24 pm

1 Replies

4389 Views

Last post by Mike Towler
Thu Nov 07, 2013 3:59 pm
vmc.hist line number

Last post by varelse « Sat Oct 12, 2013 11:53 pm
Replies: 2
by varelse » Fri Oct 11, 2013 10:24 am

2 Replies

5460 Views

Last post by varelse
Sat Oct 12, 2013 11:53 pm
Jastrow optimisation, the default in 2.12

Last post by Mike Towler « Wed Oct 09, 2013 11:58 am
Replies: 15
by Philip_Hoggan » Sun Sep 15, 2013 9:04 am
1

2
15 Replies

20854 Views

Last post by Mike Towler
Wed Oct 09, 2013 11:58 am
Problem with pseudopotential transformation

Last post by Mike Towler « Tue Sep 17, 2013 4:10 pm
Replies: 3
by Eike Caldeweyher » Mon Sep 16, 2013 2:41 pm

3 Replies

10916 Views

Last post by Mike Towler
Tue Sep 17, 2013 4:10 pm
Expectation values

Last post by Mike Towler « Mon Aug 12, 2013 1:02 pm
Replies: 3
by s.nasiri » Mon Jul 01, 2013 7:47 am

3 Replies

6607 Views

Last post by Mike Towler
Mon Aug 12, 2013 1:02 pm
pwfn generation

Last post by samaneh « Wed Jul 24, 2013 5:56 am
Replies: 7
by samaneh » Sat Jul 20, 2013 4:11 pm

7 Replies

14461 Views

Last post by samaneh
Wed Jul 24, 2013 5:56 am
Error PPOTS

Last post by Mike Towler « Thu Jul 18, 2013 3:27 pm
Replies: 19
by elaheh » Mon Jul 15, 2013 2:52 am
1

2
19 Replies

23653 Views

Last post by Mike Towler
Thu Jul 18, 2013 3:27 pm
Username and password

Last post by Mike Towler « Tue Jul 16, 2013 11:37 am
Replies: 1
by Ikem Uba » Tue Jul 16, 2013 11:32 am

1 Replies

4284 Views

Last post by Mike Towler
Tue Jul 16, 2013 11:37 am
Varmin and emin energies

Last post by Mike Towler « Tue Jul 16, 2013 12:37 am
Replies: 4
by varelse » Mon Jun 10, 2013 10:26 pm

4 Replies

6655 Views

Last post by Mike Towler
Tue Jul 16, 2013 12:37 am
Expansion coefficient

Last post by Mike Towler « Tue Jul 16, 2013 12:33 am
Replies: 10
by samaneh » Tue Jul 02, 2013 4:42 am
1

2
10 Replies

15905 Views

Last post by Mike Towler
Tue Jul 16, 2013 12:33 am
CASINO and VIRTUAL BOX

Last post by Ikem Uba « Mon Jul 15, 2013 12:43 am
Replies: 2
by Ikem Uba » Sat Jul 13, 2013 2:52 pm

2 Replies

5101 Views

Last post by Ikem Uba
Mon Jul 15, 2013 12:43 am
Runtype

Last post by elaheh « Mon Jul 15, 2013 12:36 am
Replies: 2
by elaheh » Sun Jul 14, 2013 1:33 pm

2 Replies

4826 Views

Last post by elaheh
Mon Jul 15, 2013 12:36 am
casino on gpu?

Last post by Mike Towler « Wed Jul 10, 2013 11:03 am
Replies: 1
by Mauro_Causa » Wed Jul 10, 2013 10:50 am

1 Replies

4235 Views

Last post by Mike Towler
Wed Jul 10, 2013 11:03 am

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