Using VASP

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Error in relaxation

Last post by admin « Wed Jul 22, 2015 2:35 pm
Replies: 1
by Samin.2 » Fri Jul 10, 2015 2:58 pm

1 Replies

2401 Views

Last post by admin
Wed Jul 22, 2015 2:35 pm
Handling memory on GW

Last post by jxzhu « Fri Jul 17, 2015 8:44 pm
Replies: 1
by sponza » Fri Jun 06, 2014 5:25 pm

1 Replies

3014 Views

Last post by jxzhu
Fri Jul 17, 2015 8:44 pm
How to extract the total energy from ACFDT-RPA calculations?

Last post by juhL « Wed Jul 15, 2015 12:52 pm
Replies: 6
by vaspGG » Sun Apr 26, 2015 11:22 am

6 Replies

5165 Views

Last post by juhL
Wed Jul 15, 2015 12:52 pm
Questions on Si band structure at Gamma point using HSE06

Last post by sunncepu « Tue Jul 07, 2015 8:54 am
Replies: 1
by sunncepu » Thu Jul 02, 2015 11:01 am

1 Replies

2298 Views

Last post by sunncepu
Tue Jul 07, 2015 8:54 am
Large value for SMASS with large value for Sigma

Last post by comorado « Tue Jun 16, 2015 8:36 pm
Replies: 2
by comorado » Thu Jun 11, 2015 10:42 pm

2 Replies

2574 Views

Last post by comorado
Tue Jun 16, 2015 8:36 pm
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

4152 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

2620 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

2165 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

4291 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

2910 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

2613 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

6943 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

2923 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

5245 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

2379 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

2453 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

5567 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

7908 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

4583 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

2223 Views

Last post by admin
Mon Apr 20, 2015 12:24 pm

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