Using VASP

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Magnetic moment constraints for the collinear case

Last post by tomic « Mon Jun 15, 2015 9:56 am
Replies: 4
by tomic » Thu Jun 11, 2015 3:18 pm

4 Replies

5900 Views

Last post by tomic
Mon Jun 15, 2015 9:56 am
EDDDAV Error in exact diagonalization (ALGO=Exact)

Last post by juhL « Fri Jun 12, 2015 1:54 pm
Replies: 2
by juhL » Fri Jun 12, 2015 1:04 pm

2 Replies

3861 Views

Last post by juhL
Fri Jun 12, 2015 1:54 pm
Parallel performance of VASP

Last post by suen « Thu Jun 11, 2015 4:35 pm
Replies: 2
by suen » Wed Jun 10, 2015 8:06 am

2 Replies

3173 Views

Last post by suen
Thu Jun 11, 2015 4:35 pm
Does anyone know that calculate piezoelectric constant at VA

Last post by maartendft « Wed Jun 10, 2015 8:40 pm
Replies: 3
by BERNA AKGENC » Sat Mar 21, 2015 11:52 pm

3 Replies

5520 Views

Last post by maartendft
Wed Jun 10, 2015 8:40 pm
TOTAL-FORCE all zero

Last post by yingma « Fri Jun 05, 2015 4:03 pm
Replies: 2
by yingma » Thu Jun 04, 2015 4:36 am

2 Replies

4452 Views

Last post by yingma
Fri Jun 05, 2015 4:03 pm
The error in the calculating elastic constant

Last post by admin « Fri Jun 05, 2015 1:09 pm
Replies: 1
by VASP001 » Sun May 31, 2015 4:16 am

1 Replies

3488 Views

Last post by admin
Fri Jun 05, 2015 1:09 pm
GGA tag (INCAR) and LEXCH tag (POTCAR)

Last post by suresh0807 « Tue Jun 02, 2015 3:29 pm
Replies: 2
by suresh0807 » Tue May 05, 2015 5:17 pm

2 Replies

8385 Views

Last post by suresh0807
Tue Jun 02, 2015 3:29 pm
van der Waals correction

Last post by Bmodak « Mon Jun 01, 2015 2:54 pm
Replies: 2
by Bmodak » Wed May 27, 2015 8:54 am

2 Replies

4023 Views

Last post by Bmodak
Mon Jun 01, 2015 2:54 pm
GGA tag confusion RPBE or revPBE

Last post by suresh0807 « Tue May 12, 2015 1:11 pm
Replies: 2
by suresh0807 » Fri May 08, 2015 4:29 pm

2 Replies

6646 Views

Last post by suresh0807
Tue May 12, 2015 1:11 pm
restart for elastic tensor calculations

Last post by alex « Mon May 11, 2015 4:19 pm
Replies: 2
by gdezano » Mon May 11, 2015 9:12 am

2 Replies

3337 Views

Last post by alex
Mon May 11, 2015 4:19 pm
LDAU and LSORBIT

Last post by Neutrino « Mon May 11, 2015 3:30 pm
Replies: 2
by leegeunsik » Sun May 10, 2015 5:23 pm

2 Replies

3525 Views

Last post by Neutrino
Mon May 11, 2015 3:30 pm
Dipole transition matrix elements from LOPTICS

Last post by 5-1669 « Tue Apr 28, 2015 7:03 am
Replies: 2
by ssharifz » Wed Jun 04, 2014 9:23 pm

2 Replies

7238 Views

Last post by 5-1669
Tue Apr 28, 2015 7:03 am
BLYP functional

Last post by Neutrino « Tue Apr 28, 2015 2:57 am
Replies: 9
by Neutrino » Thu Mar 05, 2015 4:47 am

9 Replies

10702 Views

Last post by Neutrino
Tue Apr 28, 2015 2:57 am
Converging defect supercells containing Europium 3+

Last post by mbkumar « Wed Apr 22, 2015 5:57 pm
Replies: 4
by mbkumar » Mon Apr 20, 2015 8:27 pm

4 Replies

6054 Views

Last post by mbkumar
Wed Apr 22, 2015 5:57 pm
PROCAR entries

Last post by admin « Mon Apr 20, 2015 12:24 pm
Replies: 1
by alpha » Mon Apr 13, 2015 7:55 pm

1 Replies

3026 Views

Last post by admin
Mon Apr 20, 2015 12:24 pm
How to Use HSE method??????

Last post by ANJI BABU « Sun Apr 19, 2015 9:41 pm
Replies: 5
by ANJI BABU » Tue Mar 10, 2015 1:21 pm

5 Replies

6206 Views

Last post by ANJI BABU
Sun Apr 19, 2015 9:41 pm
Ground state energy in GW calculation

Last post by vaspGG « Fri Apr 17, 2015 8:46 am
Replies: 2
by vaspGG » Fri Apr 03, 2015 9:44 am

2 Replies

3481 Views

Last post by vaspGG
Fri Apr 17, 2015 8:46 am
self consistent c parameter for MBJ

Last post by psriv « Fri Apr 17, 2015 5:58 am
Replies: 2
by psriv » Wed Mar 04, 2015 9:34 am

2 Replies

8603 Views

Last post by psriv
Fri Apr 17, 2015 5:58 am
Hybrid functional trouble

Last post by ALarsen « Thu Apr 16, 2015 11:26 am
Replies: 2
by ALarsen » Wed Apr 15, 2015 3:53 pm

2 Replies

4400 Views

Last post by ALarsen
Thu Apr 16, 2015 11:26 am
Polarization quanta in Berry phase calculations

Last post by huantd « Fri Apr 10, 2015 4:35 pm
Replies: 2
by huantd » Tue Apr 07, 2015 12:30 pm

2 Replies

4923 Views

Last post by huantd
Fri Apr 10, 2015 4:35 pm

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