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Periodic replication of orbitals from CHGCAR - Is it possible?

Last post by olson139 « Wed May 09, 2012 12:52 am
Replies: 2
by olson139 » Thu Mar 22, 2012 9:35 pm

2 Replies

2428 Views

Last post by olson139
Wed May 09, 2012 12:52 am
the different free energy TOTEN in different version

Last post by guo,huaihong « Fri May 04, 2012 12:44 pm
Replies: 1
by guo,huaihong » Fri May 04, 2012 12:38 pm

1 Replies

2835 Views

Last post by guo,huaihong
Fri May 04, 2012 12:44 pm
Different convergence between serial and parallel versions

Last post by alex « Wed May 02, 2012 9:47 am
Replies: 1
by quan.phung » Tue May 01, 2012 6:47 pm

1 Replies

1902 Views

Last post by alex
Wed May 02, 2012 9:47 am
VASP gives an "FFTMPI: Increase NMAXM to 4608" message and exits

Last post by admin « Thu Apr 26, 2012 3:54 pm
Replies: 1
by lowsfer » Thu Apr 26, 2012 7:43 am

1 Replies

2086 Views

Last post by admin
Thu Apr 26, 2012 3:54 pm
B3LYP calculation of single O atom does not converge.

Last post by alex « Thu Apr 26, 2012 9:21 am
Replies: 3
by ynwu » Thu Apr 19, 2012 12:42 am

3 Replies

3890 Views

Last post by alex
Thu Apr 26, 2012 9:21 am
problem with energy convergence

Last post by admin « Tue Apr 24, 2012 1:52 pm
Replies: 1
by Leny » Fri Apr 20, 2012 3:30 am

1 Replies

1868 Views

Last post by admin
Tue Apr 24, 2012 1:52 pm
DFT-D2 on VASP 5.2.11

Last post by santana « Wed Apr 18, 2012 6:02 pm
Replies: 3
by abruix » Wed Mar 09, 2011 9:45 pm

3 Replies

4848 Views

Last post by santana
Wed Apr 18, 2012 6:02 pm
Errors in the GW calculations of Silicon

Last post by ApolloYang « Fri Apr 13, 2012 9:26 am
Replies: 2
by ApolloYang » Fri Mar 23, 2012 4:18 am

2 Replies

3517 Views

Last post by ApolloYang
Fri Apr 13, 2012 9:26 am
Error during band structure calculation

Last post by ApolloYang « Fri Apr 13, 2012 9:22 am
Replies: 3
by magal » Wed Apr 11, 2012 1:23 pm

3 Replies

3021 Views

Last post by ApolloYang
Fri Apr 13, 2012 9:22 am
"ZPOTRF failed!" occurs before first step in PBE+U calc when ISIF=2, but is ok when ISIF=1

Last post by dhfphysics « Thu Apr 12, 2012 6:01 pm
Replies: 2
by dhfphysics » Wed Dec 21, 2011 11:33 pm

2 Replies

3614 Views

Last post by dhfphysics
Thu Apr 12, 2012 6:01 pm
MPI_Cart_create(

Last post by admin « Thu Mar 29, 2012 2:01 pm
Replies: 1
by qpbh08137 » Tue Mar 27, 2012 8:38 am

1 Replies

2437 Views

Last post by admin
Thu Mar 29, 2012 2:01 pm
changing OUTCAR to CONTCAR??

Last post by Leny « Wed Mar 28, 2012 2:05 am
Replies: 2
by Leny » Tue Mar 27, 2012 4:05 pm

2 Replies

2342 Views

Last post by Leny
Wed Mar 28, 2012 2:05 am
Scalability and parallel performance with hybrid functionals

Last post by hipertrofia « Mon Mar 26, 2012 9:19 pm
Replies: 2
by hipertrofia » Mon Mar 26, 2012 3:51 am

2 Replies

2683 Views

Last post by hipertrofia
Mon Mar 26, 2012 9:19 pm
[VASP 5.2.11] bug or feature? PDOS for WC

Last post by maksim « Thu Mar 22, 2012 3:33 pm
Replies: 1
by maksim » Mon Feb 27, 2012 9:29 am

1 Replies

2092 Views

Last post by maksim
Thu Mar 22, 2012 3:33 pm
Problem with using EFIELD_PEAD for MD and relaxation

Last post by Li Huang « Sat Mar 17, 2012 2:58 am
Replies: 1
by huangj3 » Wed Oct 26, 2011 7:40 pm

1 Replies

2286 Views

Last post by Li Huang
Sat Mar 17, 2012 2:58 am
IERR=0 Error reading item 'MAGMOM'

Last post by leonabdalla « Wed Mar 14, 2012 11:28 pm
Replies: 3
by bth20 » Tue Sep 13, 2005 12:11 pm

3 Replies

12625 Views

Last post by leonabdalla
Wed Mar 14, 2012 11:28 pm
Bandstructure with HSE (2)

Last post by VASP001 « Sun Mar 11, 2012 1:37 pm
Replies: 3
by PCS » Mon Jun 28, 2010 2:18 pm

3 Replies

8240 Views

Last post by VASP001
Sun Mar 11, 2012 1:37 pm
error in running vasp in parallel

Last post by alex « Mon Mar 05, 2012 9:48 am
Replies: 1
by pgoyal » Mon Mar 05, 2012 6:40 am

1 Replies

2176 Views

Last post by alex
Mon Mar 05, 2012 9:48 am
GGA tag

Last post by admin « Mon Feb 27, 2012 1:13 pm
Replies: 7
by alexabr » Tue Aug 21, 2007 9:33 am

7 Replies

12614 Views

Last post by admin
Mon Feb 27, 2012 1:13 pm
difference between 4.x and 5.x

Last post by seaso « Fri Feb 24, 2012 4:07 am
Replies: 4
by autieri » Mon Nov 28, 2011 8:06 pm

4 Replies

3477 Views

Last post by seaso
Fri Feb 24, 2012 4:07 am

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