Dear Elias, Thanks for your reminding me of the errors. Yes, I meant that the case.psinkup, case.psinkdn, case.psiagraup and case.psiagradn file were empty, but it was found that case.outputwplotup and case.outputwplotdn files were not empty.
Actually the error files were also empty. After the execution of the two commands, it showed that + x wplot -wf 2 -up -p written on 30Oct2015 at 01:34:44 NON-ORTHOGONAL AXES 0.081u 0.041s 0:00.21 57.1% 0+0k 0+0io 3pf+0w + x wplot -wf 2 -dn -p written on 30Oct2015 at 02:29:18 NON-ORTHOGONAL AXES 0.089u 0.034s 0:00.19 57.8% 0+0k 0+0io 2pf+0w In the *:log* file, it was Fri Oct 30 19:29:23 CST 2015> (x) wplot -wf 2 -up -p Fri Oct 30 19:29:23 CST 2015> (x) wplot -wf 2 -dn -p But this tool can work for non-spin polarized calcualtions, e.g. GaAs. Bests Fang 2015-10-30 17:00 GMT+08:00 Elias Assmann <[email protected]>: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > On 10/30/2015 03:40 AM, Yue-Wen Fang wrote: > > Step 1. write_inwplot > > > > Step 2. x wplot -wf 1 -up > > > > Step 3. x wplot -wf 1 -dn > > > > According to the User guide, these three commands should create > > case*.psink and case*.psiarg " files, but I found there was no > > data within these files. Could you show me how to export WF for > > spin-polarized cases? > > Do you mean the files existed but were empty? Then there must have > been some error, and you need to include error messages. > > Elias > > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1 > Comment: Using GnuPG with Icedove - http://www.enigmail.net/ > > iQIcBAEBAgAGBQJWMzGzAAoJEE/4gtQZfOqPenAP/iQbqOv1E1bVA5EZqVQyz6zn > IzQKts6LmiBefA8BgUqN0PrIxPptC0WdrFy+YSUu/Jua0Q9aFSKwJj0ZfFvhUpNz > YT7Wjf3TcLShhQhhpAAZOZLMaLpLaTJQ0MY126r4OCOI+LABiGKL7gN76X7fuYi0 > i5Dk8EKFUfylv9kNjnmRHWaLR3jM+Lv715A0lVIgGAPFTtiKaNkPRH870ni+ihse > fQ67j2UFFY5c5IZ/uo0l8fTZ/ce6vHtPJGxh9Mwpw++0d3Jfi9/XmE9zTZwNgrEk > sL7YbnSES3LNbNLLxTwjhmElMPo08XeopuXQE3K+DCcG9UBDutBSz+I/R2xKMD/u > lo86KwpUHzXbygKaYFGKjVEuBpEsoDD0VYFddz6l8Wk+npi0zJ714EZslmN/n1MH > uEiR4s9nLXSBlg2RyQHiehTAUZULVP3qxRdJjR4/XCKolzJ13I8pUqKLTQXaSD20 > GNGweLtIZ+uTfASbSnV6mZKBootm56zhavmjg3XfHheQ9nLxes4/1kw1WLqS0+rc > V6ewnHW9ogGkqRGwXgNj8ACJAjbIZIT748Y5CBogkpI62JS+1GDv8SjZ5Av4564m > 1t+2Ta4EWRt2TgBMubMHhgxplZfqhg5owABO6i3zI1tO1unDbhsngc1sLza+HeVA > tjKnOPe/sCWiCrDyDrKV > =E5uQ > -----END PGP SIGNATURE----- > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/[email protected]/index.html > -- ------------------------------------------------------------------------------------------------------------ Yue-Wen FANG, PhD candidate East China Normal University <http://english.ecnu.edu.cn/>
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