Using VASP

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Lattice vectors IN OUTCAR File

Last post by Iyyapparajan « Mon Jul 27, 2015 5:02 pm
Replies: 4
by Iyyapparajan » Fri Jul 10, 2015 7:53 am

4 Replies

7565 Views

Last post by Iyyapparajan
Mon Jul 27, 2015 5:02 pm
Pt pseudopotential

Last post by alex « Mon Jul 27, 2015 10:32 am
Replies: 1
by chelman » Fri Jul 24, 2015 10:54 pm

1 Replies

2216 Views

Last post by alex
Mon Jul 27, 2015 10:32 am
Compulation of plane averaged eletrostatic potential

Last post by sunncepu « Mon Jul 27, 2015 9:10 am
Replies: 3
by sunncepu » Sun Jul 12, 2015 5:40 am

3 Replies

4885 Views

Last post by sunncepu
Mon Jul 27, 2015 9:10 am
FERMI SURFACE plotting in VASP

Last post by tomic « Fri Jul 24, 2015 4:34 pm
Replies: 2
by Hrishit Banerjee » Wed Jun 17, 2015 1:43 pm

2 Replies

8350 Views

Last post by tomic
Fri Jul 24, 2015 4:34 pm
LOCPOT from G0W0

Last post by admin « Thu Jul 23, 2015 11:45 am
Replies: 1
by nitinkr » Sun Jun 28, 2015 5:01 pm

1 Replies

2396 Views

Last post by admin
Thu Jul 23, 2015 11:45 am
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

2826 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

3756 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

5890 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

2763 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

3129 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

4722 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

3069 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

2651 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

4843 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

3433 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

3014 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

7468 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

3460 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

5770 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

2841 Views

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

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