[Wien] Error in JOINT during optical property
Dear Wien2k users, I am trying to calculate the optical properties of MoWS2 multilayer thin film. There is no error during scf and I have also computed DOS curves without any error. In *joint *program, I received the following error message: opmat allocated with kkk,nbindex,ncol 14 78640 2 ( 2 MB) forrtl: severe (24): end-of-file during read, unit 4, file /root/WIEN2k_11/alpa/MoWS2_case2/MoWS2_case2.weight Image PCRoutineLine Source joint 080C3D1F Unknown Unknown Unknown joint 080C333F Unknown Unknown Unknown joint 0808D4E2 Unknown Unknown Unknown joint 08066C6A Unknown Unknown Unknown joint 08066905 Unknown Unknown Unknown joint 08078367 Unknown Unknown Unknown joint 08053862 MAIN__425 joint.f joint 08049DF1 Unknown Unknown Unknown libc.so.6 002BEDEC Unknown Unknown Unknown joint 08049D31 Unknown Unknown Unknown 1.872u 0.448s 0:02.32 99.5%0+0k 0+0io 0pf+0w error: command /root/WIEN2k_11/joint joint.def failed Please suggest me how to solve this error. Thanks in advance. -- Alpa Dashora -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121029/f6800107/attachment.htm
[Wien] Error in JOINT during optical property
Dear Prof. Blaha, I have run x lapw2 -fermi with TEMPS switch (in case.in2 file), because my system did not converge with TETRA switch. After scf convergence, Can I change TEMPS to TETRA? On Mon, Oct 29, 2012 at 2:24 PM, Peter Blaha pblaha at theochem.tuwien.ac.atwrote: Did you runx lapw2 -fermi(with TETRA switch) ??? Am 29.10.2012 09:36, schrieb alpa dashora: Dear Wien2k users, I am trying to calculate the optical properties of MoWS2 multilayer thin film. There is no error during scf and I have also computed DOS curves without any error. In *joint *program, I received the following error message: opmat allocated with kkk,nbindex,ncol 14 78640 2 ( 2 MB) forrtl: severe (24): end-of-file during read, unit 4, file /root/WIEN2k_11/alpa/MoWS2_**case2/MoWS2_case2.weight Image PCRoutineLineSource joint 080C3D1F Unknown Unknown Unknown joint 080C333F Unknown Unknown Unknown joint 0808D4E2 Unknown Unknown Unknown joint 08066C6A Unknown Unknown Unknown joint 08066905 Unknown Unknown Unknown joint 08078367 Unknown Unknown Unknown joint 08053862 MAIN__425 joint.f joint 08049DF1 Unknown Unknown Unknown libc.so.6 002BEDEC Unknown Unknown Unknown joint 08049D31 Unknown Unknown Unknown 1.872u 0.448s 0:02.32 99.5%0+0k 0+0io 0pf+0w error: command /root/WIEN2k_11/joint joint.def failed Please suggest me how to solve this error. Thanks in advance. -- Alpa Dashora __**_ Wien mailing list Wien at zeus.theochem.tuwien.ac.**at Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wienhttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha --**--** -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/** theochem/ http://info.tuwien.ac.at/theochem/ --**--** -- __**_ Wien mailing list Wien at zeus.theochem.tuwien.ac.**at Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wienhttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Alpa Dashora -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121029/b5b7a989/attachment.htm
[Wien] Error in JOINT during optical property
Check joint.err file for detail. I believe you do not have files: case.symmat1/2 or case.symmat(up/dn)1/2. Just make empty file with these names and it works. Good luck! === Dr. Khuong P. Ong Research Scientist Optics and Transport (Team Leader) Materials Science Engineering Department Institute of High Performance Computing 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 Mob: +65. 81885057 Tel(Off): +65. 64191566 Fax: +65. 64632536 === From: wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-boun...@zeus.theochem.tuwien.ac.at] On Behalf Of alpa dashora Sent: Monday, October 29, 2012 5:01 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] Error in JOINT during optical property Dear Prof. Blaha, I have run x lapw2 -fermi with TEMPS switch (in case.in2 file), because my system did not converge with TETRA switch. After scf convergence, Can I change TEMPS to TETRA? On Mon, Oct 29, 2012 at 2:24 PM, Peter Blaha pblaha at theochem.tuwien.ac.atmailto:pblaha at theochem.tuwien.ac.at wrote: Did you runx lapw2 -fermi(with TETRA switch) ??? Am 29.10.2012 09:36, schrieb alpa dashora: Dear Wien2k users, I am trying to calculate the optical properties of MoWS2 multilayer thin film. There is no error during scf and I have also computed DOS curves without any error. In *joint *program, I received the following error message: opmat allocated with kkk,nbindex,ncol 14 78640 2 ( 2 MB) forrtl: severe (24): end-of-file during read, unit 4, file /root/WIEN2k_11/alpa/MoWS2_case2/MoWS2_case2.weight Image PCRoutineLineSource joint 080C3D1F Unknown Unknown Unknown joint 080C333F Unknown Unknown Unknown joint 0808D4E2 Unknown Unknown Unknown joint 08066C6A Unknown Unknown Unknown joint 08066905 Unknown Unknown Unknown joint 08078367 Unknown Unknown Unknown joint 08053862 MAIN__425 joint.f joint 08049DF1 Unknown Unknown Unknown libc.so.6 002BEDEC Unknown Unknown Unknown joint 08049D31 Unknown Unknown Unknown 1.872u 0.448s 0:02.32 99.5%0+0k 0+0io 0pf+0w error: command /root/WIEN2k_11/joint joint.def failed Please suggest me how to solve this error. Thanks in advance. -- Alpa Dashora ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.atmailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.atmailto:blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.atmailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Alpa Dashora IHPC Values :: Impact :: Honesty :: Performance :: Co-operation This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121029/7280f2d9/attachment.htm
[Wien] Error in JOINT during optical property
Yes, you have to change to TETRA. Only TETRA produces the necessary case.weight file. (Check the UG. if it is metallic, you should even switch off the Bloechl-correction.) Am 29.10.2012 10:01, schrieb alpa dashora: Dear Prof. Blaha, I have run x lapw2 -fermi with TEMPS switch (in case.in2 file), because my system did not converge with TETRA switch. After scf convergence, Can I change TEMPS to TETRA? On Mon, Oct 29, 2012 at 2:24 PM, Peter Blaha pblaha at theochem.tuwien.ac.at mailto:pblaha at theochem.tuwien.ac.at wrote: Did you runx lapw2 -fermi(with TETRA switch) ??? Am 29.10.2012 09:36, schrieb alpa dashora: Dear Wien2k users, I am trying to calculate the optical properties of MoWS2 multilayer thin film. There is no error during scf and I have also computed DOS curves without any error. In *joint *program, I received the following error message: opmat allocated with kkk,nbindex,ncol 14 78640 2 ( 2 MB) forrtl: severe (24): end-of-file during read, unit 4, file /root/WIEN2k_11/alpa/MoWS2___case2/MoWS2_case2.weight Image PCRoutineLineSource joint 080C3D1F Unknown Unknown Unknown joint 080C333F Unknown Unknown Unknown joint 0808D4E2 Unknown Unknown Unknown joint 08066C6A Unknown Unknown Unknown joint 08066905 Unknown Unknown Unknown joint 08078367 Unknown Unknown Unknown joint 08053862 MAIN__425 joint.f joint 08049DF1 Unknown Unknown Unknown libc.so.6 002BEDEC Unknown Unknown Unknown joint 08049D31 Unknown Unknown Unknown 1.872u 0.448s 0:02.32 99.5%0+0k 0+0io 0pf+0w error: command /root/WIEN2k_11/joint joint.def failed Please suggest me how to solve this error. Thanks in advance. -- Alpa Dashora _ Wien mailing list Wien at zeus.theochem.tuwien.ac.__at mailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha --__--__-- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.at mailto:blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/__theochem/ http://info.tuwien.ac.at/theochem/ --__--__-- _ Wien mailing list Wien at zeus.theochem.tuwien.ac.__at mailto:Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Alpa Dashora ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ --
