[Wien] LAPW2 END - Mixer ROTDEF
Prof. Marks, thanks for your comment. Below is some more information. Normal spinel NiFe2O4 is assumed with Space group: 227 Fd-3m [origin 2] a = b = c = 15.760332 bohr Ni: (0.875,0.875,0.875) Fe: (0.5,0.5,0.5) O : (0.262,0.262,0.262) In Wien2k 11.1 (Release 14/6/2011), the scf cycle runs without error. In SRC_mixer/latgen.f, there is: !.DEFINE ROTATION MATRICES IN NONSYMMORPIC CASE !c CALL ROTDEF(NAT) If I remove !c, then run the scf cycle, I get the ROTDEF - Error in the first cycle. Just to be sure, I ran x patchsymm and still get the error using the NiFe2O4.struct_new (renamed of course to NiFe2O4.struct). Doing this, I seem to able to reproduce the users reported error. Wien2k 11.1 (Release 5/4/2011) is no longer available in the download section of the Wien2k website, but my guess is the call to ROTDEF is not commented with !c. I assume there is a reason why the !c also exists in Wien2k 12.1. On 10/22/2012 8:34 PM, Laurence Marks wrote: I suggest doing x patchsymm and checking that the positions and symmetry operations are right first. This sounds like a user setup error, but I am guessing based upon incomplete data. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu http://www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On Oct 22, 2012 8:39 PM, Gavin Abo gsabo at crimson.ua.edu mailto:gsabo at crimson.ua.edu wrote: Dear list, The full output that I got from Mohamed: - $ runsp_lapw hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END LAPW2 END CORE END CORE END ROTDEF - Error stop error - The terminal command: cat $WIENROOT/VERSION will most likely return Wien2k 11.1 (Release 5/4/2011) According to the past post: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html I believe the mixer (latgen.f) called the ROTDEF subroutine. It seems that the mixer was updated in Wien2k 11.1 (Release 14/6/2011), so upgrading to a newer Wien2k version should resolve the error. On 10/22/2012 11:52 AM, Mohamed ouaissa wrote: Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response *De :* Lyudmila Dobysheva lyuka17 at mail.ru mailto:lyuka17 at mail.ru *? :* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at mailto:wien at zeus.theochem.tuwien.ac.at *Envoy? le :* Lundi 22 octobre 2012 14h46 *Objet :* Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru mailto:lyu at otf.pti.udm.ru lyuka17 at mail.ru mailto:lyuka17 at mail.ru (office) lyuka17 at gmail.com mailto:lyuka17 at gmail.com (home) Skype: lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ 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 ___ 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 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121022/1a595963/attachment.htm
[Wien] LAPW2 END
','formatted',0 200,'./NiFe2O4.storeHinvup', 'replace','unformatted',9000 and uplapw1.error i have found nothing and uplapw2 i have found this : 2,'NiFe2O4.nshup','unknown','formatted',0 3,'NiFe2O4.in1', 'unknown','formatted',0 4,'NiFe2O4.inso', 'unknown','formatted',0 5,'NiFe2O4.in2', 'old','formatted',0 6,'NiFe2O4.output2up','unknown','formatted',0 7,'NiFe2O4.vorbup','unknown','formatted',0 8,'NiFe2O4.clmvalup','unknown','formatted',0 10,'./NiFe2O4.vectorup', 'unknown','unformatted',9000 11,'NiFe2O4.weightup','unknown','formatted',0 13,'NiFe2O4.recprlist', 'unknown','unformatted',9000 14,'NiFe2O4.kgen','unknown','formatted',0 15,'NiFe2O4.tmpup', 'unknown','unformatted',0 16,'NiFe2O4.qtlup', 'unknown','formatted',0 17,'NiFe2O4.weightaverup','unknown','formatted',0 18,'NiFe2O4.vspup', 'old','formatted',0 19,'NiFe2O4.vnsup', 'unknown','formatted',0 20,'NiFe2O4.struct', 'old','formatted',0 21,'NiFe2O4.scf2up', 'unknown','formatted',0 22,'NiFe2O4.rotlm', 'unknown','formatted',0 23,'NiFe2O4.radwfup', 'unknown','formatted',0 24,'NiFe2O4.almblmup', 'unknown','formatted',0 26,'NiFe2O4.weighup', 'unknown','unformatted',0 27,'NiFe2O4.weighdn', 'unknown','unformatted',0 29,'NiFe2O4.energydn','unknown','formatted',0 30,'NiFe2O4.energyup', 'unknown','formatted',0 32,'NiFe2O4.qdmftup', 'unknown','formatted',0 34,'NiFe2O4.oubwinup', 'unknown','formatted',0 231,'NiFe2O4.dmftsym', 'unknown','formatted',0 and uplapw2.error i have found nothing inside Hope this can help me Thanks in advance for your response and looking forward your response. kind regards Mohamed Ouaissa -- *De :* Mohamed ouaissa m.ouaissa at yahoo.fr *? :* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at *Envoy? le :* Lundi 22 octobre 2012 17h52 *Objet :* Re: [Wien] LAPW2 END Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response -- *De :* Lyudmila Dobysheva lyuka17 at mail.ru *? :* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at *Envoy? le :* Lundi 22 octobre 2012 14h46 *Objet :* Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru lyuka17 at mail.ru (office) lyuka17 at gmail.com (home) Skype: lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- * ?* Dept of Chemistry, Pohang Univ of Sci Tech Pohang, Republic of Korea -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121023/2b4b8921/attachment-0001.htm
[Wien] LAPW2 END - Mixer ROTDEF
grep rotdef *.fin SRC_mixer gives: initatoms.f:call rotdef latgen.f:!c CALL ROTDEF (NAT) rotdef.f:SUBROUTINE ROTDEF You can see that the rotdef call has been moved from latgen to initatoms.f and in addition it does not have an argument (NAT) anymore. So there was for a short time a buggy version on the web and upgrading to the new version should fix this problem. Am 23.10.2012 07:35, schrieb Gavin Abo: Prof. Marks, thanks for your comment. Below is some more information. Normal spinel NiFe2O4 is assumed with Space group: 227 Fd-3m [origin 2] a = b = c = 15.760332 bohr Ni: (0.875,0.875,0.875) Fe: (0.5,0.5,0.5) O : (0.262,0.262,0.262) In Wien2k 11.1 (Release 14/6/2011), the scf cycle runs without error. In SRC_mixer/latgen.f, there is: !.DEFINE ROTATION MATRICES IN NONSYMMORPIC CASE !c CALL ROTDEF(NAT) If I remove !c, then run the scf cycle, I get the ROTDEF - Error in the first cycle. Just to be sure, I ran x patchsymm and still get the error using the NiFe2O4.struct_new (renamed of course to NiFe2O4.struct). Doing this, I seem to able to reproduce the users reported error. Wien2k 11.1 (Release 5/4/2011) is no longer available in the download section of the Wien2k website, but my guess is the call to ROTDEF is not commented with !c. I assume there is a reason why the !c also exists in Wien2k 12.1. On 10/22/2012 8:34 PM, Laurence Marks wrote: I suggest doing x patchsymm and checking that the positions and symmetry operations are right first. This sounds like a user setup error, but I am guessing based upon incomplete data. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu http://www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On Oct 22, 2012 8:39 PM, Gavin Abo gsabo at crimson.ua.edu mailto:gsabo at crimson.ua.edu wrote: Dear list, The full output that I got from Mohamed: - $ runsp_lapw hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END LAPW2 END CORE END CORE END ROTDEF - Error stop error - The terminal command: cat $WIENROOT/VERSION will most likely return Wien2k 11.1 (Release 5/4/2011) According to the past post: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html I believe the mixer (latgen.f) called the ROTDEF subroutine. It seems that the mixer was updated in Wien2k 11.1 (Release 14/6/2011), so upgrading to a newer Wien2k version should resolve the error. On 10/22/2012 11:52 AM, Mohamed ouaissa wrote: Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response --- *De :* Lyudmila Dobysheva lyuka17 at mail.ru mailto:lyuka17 at mail.ru *? :* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at mailto:wien at zeus.theochem.tuwien.ac.at *Envoy? le :* Lundi 22 octobre 2012 14h46 *Objet :* Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru mailto:lyu at otf.pti.udm.ru lyuka17 at mail.ru mailto:lyuka17 at mail.ru (office) lyuka17 at gmail.com mailto:lyuka17 at gmail.com (home) Skype: lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ 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 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at
[Wien] LAPW2 END
Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4? ferrimagnetic when i wrote my command runsp_lapw? he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response De?: Lyudmila Dobysheva lyuka17 at mail.ru ??: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Envoy? le : Lundi 22 octobre 2012 14h46 Objet?: Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. ? LAPW0 END ? LAPW1 END ? LAPW1 END ? LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes ? Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru ? ? ? ? lyuka17 at mail.ru (office) lyuka17 at gmail.com (home) Skype:? lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121022/5220e0ed/attachment.htm
[Wien] LAPW2 END
',? 'unknown','unformatted',9000 14,'NiFe2O4.kgen',??? 'unknown','formatted',0 15,'NiFe2O4.tmpup',?? 'unknown','unformatted',0 16,'NiFe2O4.qtlup',?? 'unknown','formatted',0 17,'NiFe2O4.weightaverup','unknown','formatted',0 18,'NiFe2O4.vspup',?? 'old',??? 'formatted',0 19,'NiFe2O4.vnsup',?? 'unknown','formatted',0 20,'NiFe2O4.struct', 'old',??? 'formatted',0 21,'NiFe2O4.scf2up',?? 'unknown','formatted',0 22,'NiFe2O4.rotlm',?? 'unknown',??? 'formatted',0 23,'NiFe2O4.radwfup',?? 'unknown',??? 'formatted',0 24,'NiFe2O4.almblmup',?? 'unknown',??? 'formatted',0 26,'NiFe2O4.weighup',?? 'unknown','unformatted',0 27,'NiFe2O4.weighdn',?? 'unknown','unformatted',0 29,'NiFe2O4.energydn','unknown','formatted',0 30,'NiFe2O4.energyup', 'unknown','formatted',0 32,'NiFe2O4.qdmftup',?? 'unknown',??? 'formatted',0 34,'NiFe2O4.oubwinup',?? 'unknown',??? 'formatted',0 231,'NiFe2O4.dmftsym',?? 'unknown',??? 'formatted',0 and uplapw2.error i have found nothing inside Hope this can help me Thanks in advance for your response and looking forward your response. kind regards Mohamed Ouaissa De?: Mohamed ouaissa m.ouaissa at yahoo.fr ??: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Envoy? le : Lundi 22 octobre 2012 17h52 Objet?: Re: [Wien] LAPW2 END Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4? ferrimagnetic when i wrote my command runsp_lapw? he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response De?: Lyudmila Dobysheva lyuka17 at mail.ru ??: A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Envoy? le : Lundi 22 octobre 2012 14h46 Objet?: Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. ? LAPW0 END ? LAPW1 END ? LAPW1 END ? LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes ? Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru ? ? ? ? lyuka17 at mail.ru (office) lyuka17 at gmail.com (home) Skype:? lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121022/fb80f44c/attachment.htm
[Wien] LAPW2 END - Mixer ROTDEF
Dear list, The full output that I got from Mohamed: - $ runsp_lapw hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END LAPW2 END CORE END CORE END ROTDEF - Error stop error - The terminal command: cat $WIENROOT/VERSION will most likely return Wien2k 11.1 (Release 5/4/2011) According to the past post: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html I believe the mixer (latgen.f) called the ROTDEF subroutine. It seems that the mixer was updated in Wien2k 11.1 (Release 14/6/2011), so upgrading to a newer Wien2k version should resolve the error. On 10/22/2012 11:52 AM, Mohamed ouaissa wrote: Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response *De :* Lyudmila Dobysheva lyuka17 at mail.ru *? :* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at *Envoy? le :* Lundi 22 octobre 2012 14h46 *Objet :* Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru mailto:lyu at otf.pti.udm.ru lyuka17 at mail.ru mailto:lyuka17 at mail.ru (office) lyuka17 at gmail.com mailto:lyuka17 at gmail.com (home) Skype: lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ 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 ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121022/bcb29418/attachment.htm
[Wien] LAPW2 END - Mixer ROTDEF
I suggest doing x patchsymm and checking that the positions and symmetry operations are right first. This sounds like a user setup error, but I am guessing based upon incomplete data. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi On Oct 22, 2012 8:39 PM, Gavin Abo gsabo at crimson.ua.edu wrote: Dear list, The full output that I got from Mohamed: - $ runsp_lapw hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END LAPW2 END CORE END CORE END ROTDEF - Error stop error - The terminal command: cat $WIENROOT/VERSION will most likely return Wien2k 11.1 (Release 5/4/2011) According to the past post: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html I believe the mixer (latgen.f) called the ROTDEF subroutine. It seems that the mixer was updated in Wien2k 11.1 (Release 14/6/2011), so upgrading to a newer Wien2k version should resolve the error. On 10/22/2012 11:52 AM, Mohamed ouaissa wrote: Dear wien2k users, for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END. Im using wien2k_11. Thanks in advance for your response -- *De :* Lyudmila Dobysheva lyuka17 at mail.ru lyuka17 at mail.ru *? :* A Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.atwien at zeus.theochem.tuwien.ac.at *Envoy? le :* Lundi 22 octobre 2012 14h46 *Objet :* Re: [Wien] LAPW2 END 21.10.2012 15:02, Mohamed ouaissa ?: when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. LAPW0 END LAPW1 END LAPW1 END LAPW2 END who can tell me what i should do or where i did a mistake? Nobody can. There is no information in your letter. Best wishes Lyudmila Dobysheva -- Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci. 426001 Izhevsk, ul.Kirova 132 RUSSIA -- Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax) E-mail: lyu at otf.pti.udm.ru lyuka17 at mail.ru (office) lyuka17 at gmail.com (home) Skype: lyuka17 (home), lyuka18 (office) http://fti.udm.ru/content/view/25/103/lang,english/ -- ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ___ Wien mailing listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121022/0a2b494f/attachment.htm
[Wien] LAPW2 END
Dear WIEN2k users, when i start runsp_lapw it stops after LAPW2 as it shown below: hup: Command not found. ?LAPW0 END ?LAPW1 END ?LAPW1 END ?LAPW2 END who can tell me what i should do or where i did a mistake? Thanks in advance for your response. Mohamed -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121021/aefafad2/attachment.htm
