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A forum for discussing quantum Monte Carlo and the Cambridge QMC code CASINO.[Online since June 2013]
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148 topics • Page 3 of 3 • 1, 2, 3
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- Pseudopotential errors
by varelse » Tue Sep 16, 2014 5:04 pm
- 4 Replies
- 1830 Views
- Last post by varelse
Sat Sep 20, 2014 9:26 pm
- Pseudopotential errors
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- CASINO pseudopotential bases in DFT
by varelse » Sat Aug 02, 2014 8:20 pm
- 6 Replies
- 2567 Views
- Last post by Mike Towler
Thu Aug 14, 2014 6:50 am
- CASINO pseudopotential bases in DFT
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- how to update slater matrix and how to find the determinate
by Navneet_Singh » Tue Aug 05, 2014 10:58 am - 1 Replies
- 1375 Views
- Last post by Mike Towler
Thu Aug 14, 2014 6:18 am
- how to update slater matrix and how to find the determinate
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- Systematic errors due to pseudopotentials
by Philip_Hoggan » Fri May 23, 2014 12:18 pm - 3 Replies
- 1898 Views
- Last post by Dario_Alfe
Mon May 26, 2014 9:32 am
- Systematic errors due to pseudopotentials
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- Error: compute_multiplcities
by varelse » Thu May 15, 2014 10:46 pm
- 5 Replies
- 2613 Views
- Last post by Mike Towler
Sun May 18, 2014 5:06 pm
- Error: compute_multiplcities
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- Writing wave functions "by hand"
by Dmitry_Zvezhinsky » Sat May 17, 2014 6:27 pm - 2 Replies
- 3445 Views
- Last post by Dmitry_Zvezhinsky
Sun May 18, 2014 7:09 am
- Writing wave functions "by hand"
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- calculate the condensate fraction of excitons
by braulio » Thu May 15, 2014 6:39 am - 3 Replies
- 2031 Views
- Last post by braulio
Fri May 16, 2014 2:07 pm
- calculate the condensate fraction of excitons
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- finite size corrections in 2D
by Dario_Alfe » Tue May 06, 2014 2:52 pm - 6 Replies
- 2700 Views
- Last post by Mike Towler
Sun May 11, 2014 8:24 am
- finite size corrections in 2D
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- CHECK_NN, CHECK_KE
1, 2by varelse » Tue Mar 11, 2014 9:13 am - 10 Replies
- 4837 Views
- Last post by Mike Towler
Tue May 06, 2014 7:42 pm
- CHECK_NN, CHECK_KE
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- Compiling CASINO in Windows 7
1, 2, 3by Amir_Shamkhali » Thu Mar 20, 2014 12:02 pm - 25 Replies
- 9530 Views
- Last post by Mike Towler
Mon Apr 28, 2014 11:16 pm
- Compiling CASINO in Windows 7
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- NCORE parameter
by Kayahan » Thu Apr 17, 2014 2:04 am - 9 Replies
- 3914 Views
- Last post by Mike Towler
Mon Apr 21, 2014 12:16 pm
- NCORE parameter
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- Transferring a simulation to a different machine
by Philip_Hoggan » Fri Mar 21, 2014 5:05 pm - 2 Replies
- 1959 Views
- Last post by Mike Towler
Tue Mar 25, 2014 10:32 am
- Transferring a simulation to a different machine
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- CASINO in a dielectric medium
by Braulio_Brito » Wed Mar 05, 2014 2:54 pm - 1 Replies
- 1409 Views
- Last post by Neil Drummond
Tue Mar 11, 2014 10:48 pm
- CASINO in a dielectric medium
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- VMC energies explode
by Christopher_Eames » Tue Mar 04, 2014 4:22 pm
- 5 Replies
- 2711 Views
- Last post by Mike Towler
Tue Mar 04, 2014 9:38 pm
- VMC energies explode
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- Charge density for finite molecules
by Yasmine_AlHamdani » Fri Feb 21, 2014 5:20 pm - 4 Replies
- 4002 Views
- Last post by Yasmine_AlHamdani
Fri Feb 28, 2014 10:22 am
- Charge density for finite molecules
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- Error reading file with the skip routine
by Christopher_Eames » Tue Feb 25, 2014 1:06 pm
- 3 Replies
- 2503 Views
- Last post by Mike Towler
Tue Feb 25, 2014 3:43 pm
- Error reading file with the skip routine
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- Long equilibration
1, 2by varelse » Thu Feb 06, 2014 6:58 pm - 16 Replies
- 7836 Views
- Last post by varelse
Thu Feb 20, 2014 11:41 am
- Long equilibration
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- Installation problems
by varelse » Tue Feb 04, 2014 12:54 am - 6 Replies
- 3167 Views
- Last post by varelse
Thu Feb 06, 2014 7:01 pm
- Installation problems
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- complex_wf=T
by Dario_Alfe » Thu Jan 30, 2014 10:53 am - 6 Replies
- 2786 Views
- Last post by Mike Towler
Mon Feb 03, 2014 11:41 pm
- complex_wf=T
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- New vs. old keywords
by Mike Towler » Wed Jan 22, 2014 4:38 pm - 7 Replies
- 3854 Views
- Last post by Mike Towler
Wed Jan 29, 2014 2:29 pm
- New vs. old keywords
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- Low lying states in a transition metal oxide
1, 2by Christopher_Eames » Mon Jan 06, 2014 1:35 pm - 10 Replies
- 7588 Views
- Last post by Mike Towler
Tue Jan 28, 2014 1:01 pm
- Low lying states in a transition metal oxide
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- Zero-timestep extrapolation
by varelse » Tue Jan 14, 2014 12:49 pm - 3 Replies
- 1878 Views
- Last post by Dario_Alfe
Tue Jan 14, 2014 1:45 pm
- Zero-timestep extrapolation
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- About gaussian ang g functions
by Marc Segovia » Wed Jan 08, 2014 2:04 pm - 3 Replies
- 2892 Views
- Last post by Mike Towler
Mon Jan 13, 2014 11:50 pm
- About gaussian ang g functions
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- gaussiantoqmc test
by Bruno_Cramer » Sat Dec 28, 2013 8:02 pm - 6 Replies
- 4004 Views
- Last post by Mike Towler
Fri Jan 03, 2014 7:05 pm
- gaussiantoqmc test
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- Multiconfigurational trial wave functions from GAMESS-US
by Andrew Powell » Fri Nov 22, 2013 10:37 pm - 8 Replies
- 4707 Views
- Last post by Mike Towler
Sat Nov 30, 2013 2:20 am
- Multiconfigurational trial wave functions from GAMESS-US
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- high vmc_ave_period and correlation less than 1
by varelse » Thu Nov 21, 2013 1:26 pm - 1 Replies
- 1230 Views
- Last post by Neil Drummond
Fri Nov 29, 2013 3:53 pm
- high vmc_ave_period and correlation less than 1
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- Rough estimate about speed of Casino
by amartyabanerjee » Tue Nov 19, 2013 12:39 am - 4 Replies
- 3850 Views
- Last post by amartyabanerjee
Tue Nov 19, 2013 8:46 pm
- Rough estimate about speed of Casino
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- VMC-HF: Problem with f shell
by Eike Caldeweyher » Tue Sep 24, 2013 2:04 pm - 9 Replies
- 5360 Views
- Last post by Mike Towler
Fri Nov 08, 2013 2:52 pm
- VMC-HF: Problem with f shell
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- Stale PBS jobs
by defusco » Thu Nov 07, 2013 2:24 pm - 1 Replies
- 1591 Views
- Last post by Mike Towler
Thu Nov 07, 2013 3:59 pm
- Stale PBS jobs
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- vmc.hist line number
by varelse » Fri Oct 11, 2013 10:24 am - 2 Replies
- 2019 Views
- Last post by varelse
Sat Oct 12, 2013 11:53 pm
- vmc.hist line number
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- Jastrow optimisation, the default in 2.12
1, 2 by Philip_Hoggan » Sun Sep 15, 2013 9:04 am
- 15 Replies
- 7553 Views
- Last post by Mike Towler
Wed Oct 09, 2013 11:58 am
- Jastrow optimisation, the default in 2.12
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- Problem with pseudopotential transformation
by Eike Caldeweyher » Mon Sep 16, 2013 2:41 pm - 3 Replies
- 3236 Views
- Last post by Mike Towler
Tue Sep 17, 2013 4:10 pm
- Problem with pseudopotential transformation
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- Expectation values
by s.nasiri » Mon Jul 01, 2013 7:47 am - 3 Replies
- 2606 Views
- Last post by Mike Towler
Mon Aug 12, 2013 1:02 pm
- Expectation values
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- pwfn generation
by samaneh » Sat Jul 20, 2013 4:11 pm - 7 Replies
- 6908 Views
- Last post by samaneh
Wed Jul 24, 2013 5:56 am
- pwfn generation
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- Error PPOTS
1, 2 by elaheh » Mon Jul 15, 2013 2:52 am
- 19 Replies
- 9450 Views
- Last post by Mike Towler
Thu Jul 18, 2013 3:27 pm
- Error PPOTS
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- Username and password
by Ikem Uba » Tue Jul 16, 2013 11:32 am - 1 Replies
- 1444 Views
- Last post by Mike Towler
Tue Jul 16, 2013 11:37 am
- Username and password
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- Varmin and emin energies
by varelse » Mon Jun 10, 2013 10:26 pm - 4 Replies
- 2474 Views
- Last post by Mike Towler
Tue Jul 16, 2013 12:37 am
- Varmin and emin energies
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- Expansion coefficient
1, 2 by samaneh » Tue Jul 02, 2013 4:42 am
- 10 Replies
- 6056 Views
- Last post by Mike Towler
Tue Jul 16, 2013 12:33 am
- Expansion coefficient
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- CASINO and VIRTUAL BOX
by Ikem Uba » Sat Jul 13, 2013 2:52 pm - 2 Replies
- 1745 Views
- Last post by Ikem Uba
Mon Jul 15, 2013 12:43 am
- CASINO and VIRTUAL BOX
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- casino on gpu?
by Mauro_Causa » Wed Jul 10, 2013 10:50 am - 1 Replies
- 1556 Views
- Last post by Mike Towler
Wed Jul 10, 2013 11:03 am
- casino on gpu?
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- QMC energies higher than DFT?
by varelse » Sun Jun 30, 2013 12:05 am - 9 Replies
- 5935 Views
- Last post by Neil Drummond
Wed Jul 03, 2013 9:23 am
- QMC energies higher than DFT?
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- strategies in vmc optimization
by Mauro_Causa » Fri Jun 28, 2013 8:01 pm - 3 Replies
- 2120 Views
- Last post by Neil Drummond
Tue Jul 02, 2013 10:19 am
- strategies in vmc optimization
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- Preparation of a gwfn.data file
by Ebomwonyi Osarodion » Sat Jun 22, 2013 7:13 pm - 6 Replies
- 4741 Views
- Last post by Jhalak
Tue Jun 25, 2013 4:44 pm
- Preparation of a gwfn.data file
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- shape of the supercell
by Mauro_Causa » Tue Jun 25, 2013 9:44 am - 4 Replies
- 2816 Views
- Last post by Mauro_Causa
Tue Jun 25, 2013 2:52 pm
- shape of the supercell
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- difficulties in vmc optmising
by Mauro_Causa » Mon Jun 24, 2013 9:57 am
- 2 Replies
- 1727 Views
- Last post by Mauro_Causa
Tue Jun 25, 2013 9:16 am
- difficulties in vmc optmising
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- Spintronic and The CASINO
by Ikem Uba » Thu Jun 06, 2013 9:49 pm - 2 Replies
- 1691 Views
- Last post by Ikem Uba
Sat Jun 08, 2013 8:00 pm
- Spintronic and The CASINO
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- CASINO broke my computer
by Mike Towler » Thu May 30, 2013 11:06 pm - 2 Replies
- 2097 Views
- Last post by g-wiz
Sun Jun 02, 2013 8:44 am
- CASINO broke my computer
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