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vasp 5.2.2 Elastic Constants

Last post by tholme « Mon Dec 24, 2012 6:22 pm
Replies: 3
by dpsi » Mon Jul 20, 2009 8:52 am

3 Replies

18529 Views

Last post by tholme
Mon Dec 24, 2012 6:22 pm
ZPOTRF, Sub-Space-Matrix not Hermitian error occur for large systems using MPI, but not serial

Last post by dhfphysics « Mon Dec 17, 2012 7:56 pm
Replies: 1
by dhfphysics » Mon Dec 17, 2012 7:49 pm

1 Replies

4328 Views

Last post by dhfphysics
Mon Dec 17, 2012 7:56 pm
Possible Memory Leak when using HSE for Molecular Dynamics

Last post by huanxiong « Mon Dec 17, 2012 3:30 pm
Replies: 1
by lshulen » Thu Dec 13, 2012 12:46 am

1 Replies

4142 Views

Last post by huanxiong
Mon Dec 17, 2012 3:30 pm
Total energy difference between VASP4.6 et VASP5.2

Last post by peterklaver « Fri Dec 14, 2012 5:56 am
Replies: 10
by boris » Wed Nov 24, 2010 3:03 pm

10 Replies

13275 Views

Last post by peterklaver
Fri Dec 14, 2012 5:56 am
Problem with scGW in VASP.5.3.2

Last post by gbal « Thu Dec 13, 2012 1:34 pm
Replies: 1
by mythids » Wed Dec 05, 2012 5:31 pm

1 Replies

4187 Views

Last post by gbal
Thu Dec 13, 2012 1:34 pm
problem with 5.3.2 LOPTICS=.TRUE. and KPAR\=1

Last post by admin « Wed Dec 05, 2012 1:32 pm
Replies: 3
by hamelseb » Wed Nov 28, 2012 8:37 pm

3 Replies

5936 Views

Last post by admin
Wed Dec 05, 2012 1:32 pm
KPAR gives different energies from ionic relaxation

Last post by PRCKent « Tue Dec 04, 2012 6:07 am
Replies: 1
by nadelstein » Sat Dec 01, 2012 1:44 am

1 Replies

4310 Views

Last post by PRCKent
Tue Dec 04, 2012 6:07 am
Electronic converangce in a dielectric slab in presence of electric field

Last post by rohan « Mon Dec 03, 2012 9:14 pm
Replies: 5
by rohan » Mon May 03, 2010 4:30 pm

5 Replies

10194 Views

Last post by rohan
Mon Dec 03, 2012 9:14 pm
Memory issues for larger systems

Last post by huanxiong « Thu Nov 29, 2012 2:45 pm
Replies: 4
by bhaskarchilukuri » Thu Nov 01, 2012 2:58 am

4 Replies

14227 Views

Last post by huanxiong
Thu Nov 29, 2012 2:45 pm
5.3.2 does not print out the hessian matrix in OUTCAR for IBRION=6

Last post by admin « Wed Nov 28, 2012 6:01 pm
Replies: 1
by yiwang62 » Thu Nov 15, 2012 9:32 pm

1 Replies

4810 Views

Last post by admin
Wed Nov 28, 2012 6:01 pm
GW0 in vasp 5.2.2 and 5.3.2

Last post by gbal « Tue Nov 20, 2012 12:13 am
Replies: 2
by gbal » Fri Sep 28, 2012 12:03 pm

2 Replies

4837 Views

Last post by gbal
Tue Nov 20, 2012 12:13 am
Phonon calculation

Last post by yiwang62 « Fri Nov 16, 2012 3:46 am
Replies: 6
by novodo » Mon Aug 27, 2012 11:56 am

6 Replies

8840 Views

Last post by yiwang62
Fri Nov 16, 2012 3:46 am
the result depends of the number of processors?

Last post by admin « Wed Nov 14, 2012 5:35 pm
Replies: 1
by nany » Tue Oct 23, 2012 1:49 pm

1 Replies

3852 Views

Last post by admin
Wed Nov 14, 2012 5:35 pm
VASP5.3 k-points parallelism problem, KPAR=2 doesn't work

Last post by PRCKent « Fri Nov 09, 2012 5:10 am
Replies: 1
by kobevasp » Fri Oct 26, 2012 9:41 pm

1 Replies

4432 Views

Last post by PRCKent
Fri Nov 09, 2012 5:10 am
Vasp 5.3.2 crashes with a segmentation fault

Last post by ivasan « Fri Oct 26, 2012 2:13 pm
Replies: 2
by scotterdavid » Mon Oct 08, 2012 4:53 pm

2 Replies

5986 Views

Last post by ivasan
Fri Oct 26, 2012 2:13 pm
Ionic Contribution to Dielectric Tensor and LREAL

Last post by flowjm « Wed Oct 24, 2012 7:38 pm
Replies: 1
by flowjm » Wed Oct 24, 2012 7:33 pm

1 Replies

4588 Views

Last post by flowjm
Wed Oct 24, 2012 7:38 pm
Atomization energy problem

Last post by glaiden « Thu Oct 04, 2012 6:55 am
Replies: 1
by jber » Thu Jul 21, 2011 6:57 pm

1 Replies

4360 Views

Last post by glaiden
Thu Oct 04, 2012 6:55 am
LAPACK Routine ZPOTRF fails immediately

Last post by tfarmstrong « Wed Sep 26, 2012 1:00 pm
Replies: 2
by captainalright » Thu Jul 21, 2011 8:23 pm

2 Replies

10210 Views

Last post by tfarmstrong
Wed Sep 26, 2012 1:00 pm
smass unit

Last post by admin « Fri Sep 21, 2012 12:21 pm
Replies: 1
by poivre » Wed Sep 19, 2012 10:16 am

1 Replies

4181 Views

Last post by admin
Fri Sep 21, 2012 12:21 pm
VASP 5.2.12 segementation fault

Last post by admin « Thu Aug 30, 2012 3:10 pm
Replies: 1
by yqin » Fri Jul 20, 2012 8:06 pm

1 Replies

4054 Views

Last post by admin
Thu Aug 30, 2012 3:10 pm

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